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

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C18H18N4O5 MolecularWeight: 370.35932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O5/c1-4-21-11(2)7-15(12(21)3)18(24)27-10-17(23)20-16-6-5-14(22(25)26)8-13(16)9-19/h5-8H,4,10H2,1-3H3,(H,20,23)