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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: (2-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-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3S)-3-methylpiperidino]-3-nitro-benzoic acid (2-amino-2-keto-ethyl) ester Formula: C15H19N3O5 MolecularWeight: 321.32846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O5/c1-10-3-2-6-17(8-10)12-5-4-11(7-13(12)18(21)22)15(20)23-9-14(16)19/h4-5,7,10H,2-3,6,8-9H2,1H3,(H2,16,19)/t10-/m0/s1