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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCC(C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)N2CCC[C@@H](C2)C)[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O6/c1-3-4-9-21-20(27)22-18(25)13-30-19(26)15-7-8-16(17(11-15)24(28)29)23-10-5-6-14(2)12-23/h7-8,11,14H,3-6,9-10,12-13H2,1-2H3,(H2,21,22,25,27)/t14-/m0/s1