(1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 4-methyl-3-nitro-benzoate

Systemtic Name: (1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 4-methyl-3-nitro-benzoate Openeye Name: (1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl) 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (2-keto-1-methyl-2-pyrrolidino-ethyl) ester Formula: C15H18N2O5 MolecularWeight: 306.31382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O5/c1-10-5-6-12(9-13(10)17(20)21)15(19)22-11(2)14(18)16-7-3-4-8-16/h5-6,9,11H,3-4,7-8H2,1-2H3