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

Systemtic Name: (phenylmethyl) 2-methyl-1-[3-[(4-nitrophenyl)amino]propyl]-5-oxidanyl-benzo[g]indole-3-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C30H27N3O5 MolecularWeight: 509.55248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CCCNC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4C(=C2)O)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(N1CCCNC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4C(=C2)O)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C30H27N3O5/c1-20-28(30(35)38-19-21-8-3-2-4-9-21)26-18-27(34)24-10-5-6-11-25(24)29(26)32(20)17-7-16-31-22-12-14-23(15-13-22)33(36)37/h2-6,8-15,18,31,34H,7,16-17,19H2,1H3