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

Systemtic Name: [2-[(2-methoxy-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: [2-[(2-methoxy-2-oxo-ethyl)amino]-2-oxo-ethyl] 4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3S)-3-methylpiperidino]-3-nitro-benzoic acid [2-keto-2-[(2-keto-2-methoxy-ethyl)amino]ethyl] ester Formula: C18H23N3O7 MolecularWeight: 393.39112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O7/c1-12-4-3-7-20(10-12)14-6-5-13(8-15(14)21(25)26)18(24)28-11-16(22)19-9-17(23)27-2/h5-6,8,12H,3-4,7,9-11H2,1-2H3,(H,19,22)/t12-/m0/s1