[2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: [2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: [2-(cyclopropylcarbamoylamino)-2-oxo-ethyl] 4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid [2-[[(cyclopropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3S)-3-methylpiperidino]-3-nitro-benzoic acid [2-(cyclopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H24N4O6 MolecularWeight: 404.41706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC(=O)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC(=O)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O6/c1-12-3-2-8-22(10-12)15-7-4-13(9-16(15)23(27)28)18(25)29-11-17(24)21-19(26)20-14-5-6-14/h4,7,9,12,14H,2-3,5-6,8,10-11H2,1H3,(H2,20,21,24,26)/t12-/m0/s1