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

Systemtic Name: ethyl 2-methyl-1-[3-[(4-nitrophenyl)amino]propyl]-5-oxidanyl-benzo[g]indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-methyl-1-[3-(4-nitroanilino)propyl]benzo[g]indole-3-carboxylate CAS Name: 5-hydroxy-2-methyl-1-[3-(4-nitroanilino)propyl]-3-benzo[g]indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-methyl-1-[3-(4-nitroanilino)propyl]benzo[g]indole-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-1-[3-(4-nitroanilino)propyl]benz[g]indole-3-carboxylic acid ethyl ester Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C3=CC=CC=C32)O)CCCNC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C3=CC=CC=C32)O)CCCNC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C25H25N3O5/c1-3-33-25(30)23-16(2)27(14-6-13-26-17-9-11-18(12-10-17)28(31)32)24-20-8-5-4-7-19(20)22(29)15-21(23)24/h4-5,7-12,15,26,29H,3,6,13-14H2,1-2H3