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

Systemtic Name: [1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (1-methyl-2-oxo-2-ureido-ethyl) 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid [1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-1-oxopropan-2-yl] 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid (2-keto-1-methyl-2-ureido-ethyl) ester Formula: C17H22N4O6 MolecularWeight: 378.37978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O6/c1-10-5-7-20(8-6-10)13-4-3-12(9-14(13)21(25)26)16(23)27-11(2)15(22)19-17(18)24/h3-4,9-11H,5-8H2,1-2H3,(H3,18,19,22,24)