(2-oxidanylidene-2-piperidin-1-yl-ethyl) 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid (2-keto-2-piperidino-ethyl) ester Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O5/c21-16(19-8-2-1-3-9-19)11-25-17(22)12-4-7-14(18-13-5-6-13)15(10-12)20(23)24/h4,7,10,13,18H,1-3,5-6,8-9,11H2