ethyl 5-(3,5-dinitrophenyl)carbonyloxy-2-methyl-1-phenyl-benzo[g]indole-3-carboxylate

Systemtic Name: ethyl 5-(3,5-dinitrophenyl)carbonyloxy-2-methyl-1-phenyl-benzo[g]indole-3-carboxylate Openeye Name: ethyl 5-(3,5-dinitrobenzoyl)oxy-2-methyl-1-phenyl-benzo[g]indole-3-carboxylate CAS Name: 5-[(3,5-dinitrophenyl)-oxomethoxy]-2-methyl-1-phenyl-3-benzo[g]indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3,5-dinitrobenzoyl)oxy-2-methyl-1-phenylbenzo[g]indole-3-carboxylate Traditional Name: 5-(3,5-dinitrobenzoyl)oxy-2-methyl-1-phenyl-benz[g]indole-3-carboxylic acid ethyl ester Formula: C29H21N3O8 MolecularWeight: 539.49234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C3=CC=CC=C32)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C3=CC=CC=C32)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C5=CC=CC=C5)C

InChI

InChI=1S/C29H21N3O8/c1-3-39-29(34)26-17(2)30(19-9-5-4-6-10-19)27-23-12-8-7-11-22(23)25(16-24(26)27)40-28(33)18-13-20(31(35)36)15-21(14-18)32(37)38/h4-16H,3H2,1-2H3