[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-propan-2-yl-pyrrole-3-carboxylate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-propan-2-yl-pyrrole-3-carboxylate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 1-isopropyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-propan-2-yl-3-pyrrolecarboxylic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxylate Traditional Name: 1-isopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C19H20N4O5 MolecularWeight: 384.3859

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H20N4O5/c1-11(2)22-12(3)7-16(13(22)4)19(25)28-10-18(24)21-17-6-5-15(23(26)27)8-14(17)9-20/h5-8,11H,10H2,1-4H3,(H,21,24)