[(2Z,4S,5R,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-10,11,12a-tris(oxidanyl)-1,3,6,12-tetrakis(oxidanylidene)-4,4a,5,5a-tetrahydrotetracen-5-yl] ethanoate

Systemtic Name: [(2Z,4S,5R,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-10,11,12a-tris(oxidanyl)-1,3,6,12-tetrakis(oxidanylidene)-4,4a,5,5a-tetrahydrotetracen-5-yl] ethanoate Openeye Name: [(2Z,4S,5R,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-10,11,12a-trihydroxy-1,3,6,12-tetraoxo-4,4a,5,5a-tetrahydrotetracen-5-yl] acetate CAS Name: acetic acid [(2Z,4S,5R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-10,11,12a-trihydroxy-1,3,6,12-tetraoxo-4,4a,5,5a-tetrahydrotetracen-5-yl] ester IUPAC Name: [(2Z,4S,5R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-10,11,12a-trihydroxy-1,3,6,12-tetraoxo-4,4a,5,5a-tetrahydrotetracen-5-yl] acetate Traditional Name: acetic acid [(2Z,4S,5R,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-10,11,12a-trihydroxy-1,3,6,12-tetraketo-4,4a,5,5a-tetrahydrotetracen-5-yl] ester Formula: C23H22N2O10 MolecularWeight: 486.42818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C2C(C(=O)C(=C(N)O)C(=O)C2(C(=O)C3=C(C4=C(C=CC=C4O)C(=O)C13)O)O)N(C)C

Isomeric SMILES

CC(=O)O[C@@H]1C2[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]2(C(=O)C3=C(C4=C(C=CC=C4O)C(=O)C13)O)O)N(C)C

InChI

InChI=1S/C23H22N2O10/c1-7(26)35-19-11-12(17(29)10-8(16(11)28)5-4-6-9(10)27)20(31)23(34)14(19)15(25(2)3)18(30)13(21(23)32)22(24)33/h4-6,11,14-15,19,27,29,33-34H,24H2,1-3H3/b22-13-/t11?,14?,15-,19-,23-/m0/s1