methyl 4-cyano-3-[(3,5-dinitrophenyl)carbonylamino]-1,5-dimethyl-pyrrole-2-carboxylate

Systemtic Name: methyl 4-cyano-3-[(3,5-dinitrophenyl)carbonylamino]-1,5-dimethyl-pyrrole-2-carboxylate Openeye Name: methyl 4-cyano-3-[(3,5-dinitrobenzoyl)amino]-1,5-dimethyl-pyrrole-2-carboxylate CAS Name: 4-cyano-3-[[(3,5-dinitrophenyl)-oxomethyl]amino]-1,5-dimethyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-3-[(3,5-dinitrobenzoyl)amino]-1,5-dimethylpyrrole-2-carboxylate Traditional Name: 4-cyano-3-[(3,5-dinitrobenzoyl)amino]-1,5-dimethyl-pyrrole-2-carboxylic acid methyl ester Formula: C16H13N5O7 MolecularWeight: 387.30372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C(=O)OC)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C(=C(N1C)C(=O)OC)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C#N

InChI

InChI=1S/C16H13N5O7/c1-8-12(7-17)13(14(19(8)2)16(23)28-3)18-15(22)9-4-10(20(24)25)6-11(5-9)21(26)27/h4-6H,1-3H3,(H,18,22)