methyl 2-methyl-1-[2-[(4-nitrophenyl)amino]ethyl]-5-oxidanyl-benzo[g]indole-3-carboxylate

Systemtic Name: methyl 2-methyl-1-[2-[(4-nitrophenyl)amino]ethyl]-5-oxidanyl-benzo[g]indole-3-carboxylate Openeye Name: methyl 5-hydroxy-2-methyl-1-[2-(4-nitroanilino)ethyl]benzo[g]indole-3-carboxylate CAS Name: 5-hydroxy-2-methyl-1-[2-(4-nitroanilino)ethyl]-3-benzo[g]indolecarboxylic acid methyl ester IUPAC Name: methyl 5-hydroxy-2-methyl-1-[2-(4-nitroanilino)ethyl]benzo[g]indole-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-1-[2-(4-nitroanilino)ethyl]benz[g]indole-3-carboxylic acid methyl ester Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CCNC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4C(=C2)O)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(N1CCNC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4C(=C2)O)C(=O)OC

InChI

InChI=1S/C23H21N3O5/c1-14-21(23(28)31-2)19-13-20(27)17-5-3-4-6-18(17)22(19)25(14)12-11-24-15-7-9-16(10-8-15)26(29)30/h3-10,13,24,27H,11-12H2,1-2H3