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

Systemtic Name: methyl 4-cyano-3-[(3,5-dinitrophenyl)carbonylamino]-5-methyl-1-phenyl-pyrrole-2-carboxylate Openeye Name: methyl 4-cyano-3-[(3,5-dinitrobenzoyl)amino]-5-methyl-1-phenyl-pyrrole-2-carboxylate CAS Name: 4-cyano-3-[[(3,5-dinitrophenyl)-oxomethyl]amino]-5-methyl-1-phenyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-3-[(3,5-dinitrobenzoyl)amino]-5-methyl-1-phenylpyrrole-2-carboxylate Traditional Name: 4-cyano-3-[(3,5-dinitrobenzoyl)amino]-5-methyl-1-phenyl-pyrrole-2-carboxylic acid methyl ester Formula: C21H15N5O7 MolecularWeight: 449.3731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N5O7/c1-12-17(11-22)18(19(21(28)33-2)24(12)14-6-4-3-5-7-14)23-20(27)13-8-15(25(29)30)10-16(9-13)26(31)32/h3-10H,1-2H3,(H,23,27)