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

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H28N4O6 MolecularWeight: 420.45952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)N2CCC(CC2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)N2CCC(CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O6/c1-3-4-9-21-20(27)22-18(25)13-30-19(26)15-5-6-16(17(12-15)24(28)29)23-10-7-14(2)8-11-23/h5-6,12,14H,3-4,7-11,13H2,1-2H3,(H2,21,22,25,27)