[1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-(4-ethoxyanilino)-1-methyl-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [1-(4-ethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethoxyanilino)-1-oxopropan-2-yl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-keto-1-methyl-2-(p-phenetidino)ethyl] ester Formula: C17H19N3O6 MolecularWeight: 361.34926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC(=CN2C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC(=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O6/c1-4-25-14-7-5-12(6-8-14)18-16(21)11(2)26-17(22)15-9-13(20(23)24)10-19(15)3/h5-11H,4H2,1-3H3,(H,18,21)