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

Systemtic Name: [(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: [(1S)-2-anilino-1-methyl-2-oxo-ethyl] 4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid [(2S)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-anilino-1-oxopropan-2-yl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3S)-3-methylpiperidino]-3-nitro-benzoic acid [(1S)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)O[C@@H](C)C(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-15-7-6-12-24(14-15)19-11-10-17(13-20(19)25(28)29)22(27)30-16(2)21(26)23-18-8-4-3-5-9-18/h3-5,8-11,13,15-16H,6-7,12,14H2,1-2H3,(H,23,26)/t15-,16-/m0/s1