[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-[(1-cyano-1-methyl-ethyl)-methyl-amino]-2-oxo-ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-[(1-cyano-1-methyl-ethyl)-methyl-amino]-2-keto-ethyl] ester Formula: C19H24N4O5 MolecularWeight: 388.41766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)N(C)C(=O)COC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C#N)N(C)C(=O)COC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O5/c1-19(2,13-20)21(3)17(24)12-28-18(25)14-7-8-15(16(11-14)23(26)27)22-9-5-4-6-10-22/h7-8,11H,4-6,9-10,12H2,1-3H3