ethyl 1-cyclohexyl-5-(2,4-dinitrophenyl)carbonyloxy-2-methyl-benzo[g]indole-3-carboxylate

Systemtic Name: ethyl 1-cyclohexyl-5-(2,4-dinitrophenyl)carbonyloxy-2-methyl-benzo[g]indole-3-carboxylate Openeye Name: ethyl 1-cyclohexyl-5-(2,4-dinitrobenzoyl)oxy-2-methyl-benzo[g]indole-3-carboxylate CAS Name: 1-cyclohexyl-5-[(2,4-dinitrophenyl)-oxomethoxy]-2-methyl-3-benzo[g]indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclohexyl-5-(2,4-dinitrobenzoyl)oxy-2-methylbenzo[g]indole-3-carboxylate Traditional Name: 1-cyclohexyl-5-(2,4-dinitrobenzoyl)oxy-2-methyl-benz[g]indole-3-carboxylic acid ethyl ester Formula: C29H27N3O8 MolecularWeight: 545.53998

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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=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C5CCCCC5)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C3=CC=CC=C32)OC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C5CCCCC5)C

InChI

InChI=1S/C29H27N3O8/c1-3-39-29(34)26-17(2)30(18-9-5-4-6-10-18)27-21-12-8-7-11-20(21)25(16-23(26)27)40-28(33)22-14-13-19(31(35)36)15-24(22)32(37)38/h7-8,11-16,18H,3-6,9-10H2,1-2H3