[1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-methylphenyl)methylamino]-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-[(4-methylbenzyl)amino]ethyl] ester Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)OC(=O)C2=CC(=CN2C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C(C)OC(=O)C2=CC(=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O5/c1-11-4-6-13(7-5-11)9-18-16(21)12(2)25-17(22)15-8-14(20(23)24)10-19(15)3/h4-8,10,12H,9H2,1-3H3,(H,18,21)