(4S,4aS,5aR,12aS)-4-(dimethylamino)-7-(3-nitrophenyl)-10,12a-bis(oxidanyl)-1,3,11,12-tetrakis(oxidanylidene)-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide

Systemtic Name: (4S,4aS,5aR,12aS)-4-(dimethylamino)-7-(3-nitrophenyl)-10,12a-bis(oxidanyl)-1,3,11,12-tetrakis(oxidanylidene)-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide Openeye Name: (4S,4aS,5aR,12aS)-4-(dimethylamino)-10,12a-dihydroxy-7-(3-nitrophenyl)-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide CAS Name: (4S,4aS,5aR,12aS)-4-(dimethylamino)-10,12a-dihydroxy-7-(3-nitrophenyl)-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide IUPAC Name: (4S,4aS,5aR,12aS)-4-(dimethylamino)-10,12a-dihydroxy-7-(3-nitrophenyl)-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide Traditional Name: (4S,4aS,5aR,12aS)-4-(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraketo-7-(3-nitrophenyl)-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide Formula: C27H25N3O9 MolecularWeight: 535.5021

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C2CC3CC4=C(C=CC(=C4C(=O)C3C(=O)C2(C(=O)C(C1=O)C(=O)N)O)O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=O)C3C(=O)[C@@]2(C(=O)C(C1=O)C(=O)N)O)O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H25N3O9/c1-29(2)21-16-10-12-9-15-14(11-4-3-5-13(8-11)30(38)39)6-7-17(31)19(15)22(32)18(12)24(34)27(16,37)25(35)20(23(21)33)26(28)36/h3-8,12,16,18,20-21,31,37H,9-10H2,1-2H3,(H2,28,36)/t12-,16-,18?,20?,21-,27-/m0/s1