[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C22H21N3O5/c1-14-8-9-15(2)24(14)18-12-10-17(11-13-18)22(27)30-16(3)21(26)23-19-6-4-5-7-20(19)25(28)29/h4-13,16H,1-3H3,(H,23,26)