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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-[benzyl(isopropyl)amino]-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl] ester IUPAC Name: [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-[benzyl(isopropyl)amino]-2-keto-ethyl] ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5/c1-13(2)20(10-14-7-5-4-6-8-14)17(22)12-26-18(23)16-9-15(21(24)25)11-19(16)3/h4-9,11,13H,10,12H2,1-3H3