[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)OCC(=O)NC2=CC=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)OCC(=O)NC2=CC=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C17H19N3O5/c1-4-19-11(2)9-13(12(19)3)17(22)25-10-16(21)18-14-7-5-6-8-15(14)20(23)24/h5-9H,4,10H2,1-3H3,(H,18,21)