methyl 2,5-dimethyl-1-[(3-nitropyridin-2-yl)amino]-4-(phenylcarbonyl)pyrrole-3-carboxylate

Systemtic Name: methyl 2,5-dimethyl-1-[(3-nitropyridin-2-yl)amino]-4-(phenylcarbonyl)pyrrole-3-carboxylate Openeye Name: methyl 4-benzoyl-2,5-dimethyl-1-[(3-nitro-2-pyridyl)amino]pyrrole-3-carboxylate CAS Name: 4-benzoyl-2,5-dimethyl-1-[(3-nitro-2-pyridinyl)amino]-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-benzoyl-2,5-dimethyl-1-[(3-nitropyridin-2-yl)amino]pyrrole-3-carboxylate Traditional Name: 4-benzoyl-2,5-dimethyl-1-[(3-nitro-2-pyridyl)amino]pyrrole-3-carboxylic acid methyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1NC2=C(C=CC=N2)[N+](=O)[O-])C)C(=O)OC)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(N1NC2=C(C=CC=N2)[N+](=O)[O-])C)C(=O)OC)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H18N4O5/c1-12-16(18(25)14-8-5-4-6-9-14)17(20(26)29-3)13(2)23(12)22-19-15(24(27)28)10-7-11-21-19/h4-11H,1-3H3,(H,21,22)