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

Systemtic Name: [2-[1-cyclopropylethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-[benzyl(1-cyclopropylethyl)amino]-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-[1-cyclopropylethyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-[benzyl(1-cyclopropylethyl)amino]-2-keto-ethyl] ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)N(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC(=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC(C1CC1)N(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC(=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5/c1-14(16-8-9-16)22(11-15-6-4-3-5-7-15)19(24)13-28-20(25)18-10-17(23(26)27)12-21(18)2/h3-7,10,12,14,16H,8-9,11,13H2,1-2H3