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

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (2-oxo-2-ureido-ethyl) 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-2-oxoethyl] 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid (2-keto-2-ureido-ethyl) ester Formula: C16H20N4O6 MolecularWeight: 364.3532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O6/c1-10-4-6-19(7-5-10)12-3-2-11(8-13(12)20(24)25)15(22)26-9-14(21)18-16(17)23/h2-3,8,10H,4-7,9H2,1H3,(H3,17,18,21,23)