[1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H19N3O7 MolecularWeight: 377.34866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC(=CN2C)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC(=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O7/c1-10(27-17(22)13-8-12(20(23)24)9-19(13)2)16(21)18-11-5-6-14(25-3)15(7-11)26-4/h5-10H,1-4H3,(H,18,21)