[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C14H12N2O5 MolecularWeight: 288.25548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CN2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CN2)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O5/c1-9-4-5-10(7-12(9)16(19)20)13(17)8-21-14(18)11-3-2-6-15-11/h2-7,15H,8H2,1H3