ethyl 1-methyl-4-[(4-nitrophenyl)-(phenylmethyl)amino]pyrrole-2-carboxylate

Systemtic Name: ethyl 1-methyl-4-[(4-nitrophenyl)-(phenylmethyl)amino]pyrrole-2-carboxylate Openeye Name: ethyl 4-(N-benzyl-4-nitro-anilino)-1-methyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-(4-nitro-N-(phenylmethyl)anilino)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(N-benzyl-4-nitroanilino)-1-methylpyrrole-2-carboxylate Traditional Name: 4-(N-benzyl-4-nitro-anilino)-1-methyl-pyrrole-2-carboxylic acid ethyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CN1C)N(CC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CN1C)N(CC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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