[(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O6/c1-12(2)21-20(27)22-18(25)14(4)30-19(26)15-7-8-16(17(10-15)24(28)29)23-9-5-6-13(3)11-23/h7-8,10,12-14H,5-6,9,11H2,1-4H3,(H2,21,22,25,27)/t13-,14+/m1/s1