[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3S)-3-methylpiperidino]-3-nitro-benzoic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O5/c1-12-4-3-7-22(10-12)16-6-5-14(8-17(16)23(26)27)19(25)28-11-18(24)15(9-20)13(2)21/h5-6,8,12,15,21H,3-4,7,10-11H2,1-2H3/t12-,15+/m0/s1