[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 2,5-dimethyl-1-(o-tolyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(2-methylphenyl)-3-pyrrolecarboxylic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(o-tolyl)pyrrole-3-carboxylic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CC(=C2C)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC(=C2C)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C23H23N3O5/c1-14-7-5-6-8-21(14)25-15(2)13-20(16(25)3)23(28)31-17(4)22(27)24-18-9-11-19(12-10-18)26(29)30/h5-13,17H,1-4H3,(H,24,27)