(2-oxidanylidene-2-piperidin-1-yl-ethyl) 3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoic acid (2-keto-2-piperidino-ethyl) ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c25-20(23-11-5-2-6-12-23)15-29-21(26)17-9-10-18(19(13-17)24(27)28)22-14-16-7-3-1-4-8-16/h1,3-4,7-10,13,22H,2,5-6,11-12,14-15H2