[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-[methyl(o-tolylmethyl)amino]-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-keto-2-[methyl-(2-methylbenzyl)amino]ethyl] ester Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C)C(=O)COC(=O)C2=CC(=CN2C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN(C)C(=O)COC(=O)C2=CC(=CN2C)[N+](=O)[O-]

InChI

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