ethyl (E)-3-[(5aR,6aS,7S,9E,10aS)-9-[azanyl(oxidanyl)methylidene]-4,7-bis(dimethylamino)-1,10a,12-tris(oxidanyl)-8,10,11-tris(oxidanylidene)-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[(5aR,6aS,7S,9E,10aS)-9-[azanyl(oxidanyl)methylidene]-4,7-bis(dimethylamino)-1,10a,12-tris(oxidanyl)-8,10,11-tris(oxidanylidene)-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[(5aR,6aS,7S,9E,10aS)-9-[amino(hydroxy)methylene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]prop-2-enoate CAS Name: (E)-3-[(5aR,6aS,7S,9E,10aS)-9-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(5aR,6aS,7S,9E,10aS)-9-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]prop-2-enoate Traditional Name: (E)-3-[(5aR,6aS,7S,9E,10aS)-9-[amino(hydroxy)methylene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-triketo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]acrylic acid ethyl ester Formula: C28H33N3O9 MolecularWeight: 555.57632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC(=C2CC3CC4C(C(=O)C(=C(N)O)C(=O)C4(C(=O)C3=C(C2=C1O)O)O)N(C)C)N(C)C

Isomeric SMILES

CCOC(=O)/C=C/C1=CC(=C2C[C@H]3C[C@H]4[C@@H](C(=O)/C(=C(/N)\O)/C(=O)[C@]4(C(=O)C3=C(C2=C1O)O)O)N(C)C)N(C)C

InChI

InChI=1S/C28H33N3O9/c1-6-40-17(32)8-7-12-11-16(30(2)3)14-9-13-10-15-21(31(4)5)24(35)20(27(29)38)26(37)28(15,39)25(36)18(13)23(34)19(14)22(12)33/h7-8,11,13,15,21,33-34,38-39H,6,9-10,29H2,1-5H3/b8-7+,27-20+/t13-,15-,21-,28-/m0/s1