[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 3-methyl-4-nitro-benzoate Openeye Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [4-(2-oxo-1-pyrrolidinyl)phenyl] ester IUPAC Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [4-(2-ketopyrrolidino)phenyl] ester Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)N3CCCC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)N3CCCC3=O)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O5/c1-12-11-13(4-9-16(12)20(23)24)18(22)25-15-7-5-14(6-8-15)19-10-2-3-17(19)21/h4-9,11H,2-3,10H2,1H3