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

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC(=CN2C)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC(=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5/c1-11(15(20)17-9-12-6-4-3-5-7-12)24-16(21)14-8-13(19(22)23)10-18(14)2/h3-8,10-11H,9H2,1-2H3,(H,17,20)