[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-1H-pyrrole-2-carboxylate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-1H-pyrrole-2-carboxylate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-chloro-1H-pyrrole-2-carboxylate CAS Name: 4-chloro-1H-pyrrole-2-carboxylic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 4-chloro-1H-pyrrole-2-carboxylate Traditional Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C14H12ClN3O5 MolecularWeight: 337.71518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=CN2)Cl

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=CN2)Cl

InChI

InChI=1S/C14H12ClN3O5/c1-8(23-14(20)12-5-9(15)7-16-12)13(19)17-10-3-2-4-11(6-10)18(21)22/h2-8,16H,1H3,(H,17,19)