(2-oxidanylidene-2-phenylazanyl-ethyl) 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (2-anilino-2-oxo-ethyl) 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid (2-anilino-2-keto-ethyl) ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-15-9-11-23(12-10-15)18-8-7-16(13-19(18)24(27)28)21(26)29-14-20(25)22-17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3,(H,22,25)