[2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-oxo-2-(2-oxo-1-pyrrolidinyl)ethyl] ester IUPAC Name: [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-keto-2-(2-ketopyrrolidino)ethyl] ester Formula: C14H15N3O6 MolecularWeight: 321.2854

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCCC2=O)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCCC2=O)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O6/c1-15-10-5-4-9(7-11(10)17(21)22)14(20)23-8-13(19)16-6-2-3-12(16)18/h4-5,7,15H,2-3,6,8H2,1H3