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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c25-20(22-14-16-7-3-1-4-8-16)15-29-21(26)17-9-10-18(19(13-17)24(27)28)23-11-5-2-6-12-23/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2,(H,22,25)