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

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O5/c20-15(18-7-1-2-8-18)10-24-16(21)11-3-6-13(17-12-4-5-12)14(9-11)19(22)23/h3,6,9,12,17H,1-2,4-5,7-8,10H2