methyl 2-methyl-5-(4-nitrophenyl)carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-methyl-5-(4-nitrophenyl)carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-methyl-5-(4-nitrobenzoyl)-1H-pyrrole-3-carboxylate CAS Name: 2-methyl-5-[(4-nitrophenyl)-oxomethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-(4-nitrobenzoyl)-1H-pyrrole-3-carboxylate Traditional Name: 2-methyl-5-(4-nitrobenzoyl)-1H-pyrrole-3-carboxylic acid methyl ester Formula: C14H12N2O5 MolecularWeight: 288.25548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C=C(N1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C14H12N2O5/c1-8-11(14(18)21-2)7-12(15-8)13(17)9-3-5-10(6-4-9)16(19)20/h3-7,15H,1-2H3