methyl 4-(4-azanyl-3-nitro-phenyl)-2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: methyl 4-(4-azanyl-3-nitro-phenyl)-2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: methyl 4-(4-amino-3-nitro-phenyl)-1-benzyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 4-(4-amino-3-nitrophenyl)-2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-amino-3-nitrophenyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 4-(4-amino-3-nitro-phenyl)-1-benzyl-2,5-dimethyl-pyrrole-3-carboxylic acid methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)OC)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)OC)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4/c1-13-19(16-9-10-17(22)18(11-16)24(26)27)20(21(25)28-3)14(2)23(13)12-15-7-5-4-6-8-15/h4-11H,12,22H2,1-3H3