2-[(2E)-4,4-dimethyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethylidene]pyrrolidin-1-yl]ethanoic acid

Systemtic Name: 2-[(2E)-4,4-dimethyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethylidene]pyrrolidin-1-yl]ethanoic acid Openeye Name: 2-[(2E)-4,4-dimethyl-2-[2-(4-nitrophenyl)-2-oxo-ethylidene]pyrrolidin-1-yl]acetic acid CAS Name: 2-[(2E)-4,4-dimethyl-2-[2-(4-nitrophenyl)-2-oxoethylidene]-1-pyrrolidinyl]acetic acid IUPAC Name: 2-[(2E)-4,4-dimethyl-2-[2-(4-nitrophenyl)-2-oxoethylidene]pyrrolidin-1-yl]acetic acid Traditional Name: 2-[(2E)-2-[2-keto-2-(4-nitrophenyl)ethylidene]-4,4-dimethyl-pyrrolidino]acetic acid Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(C/C(=C\C(=O)C2=CC=C(C=C2)[N+](=O)[O-])/N(C1)CC(=O)O)C

InChI

InChI=1S/C16H18N2O5/c1-16(2)8-13(17(10-16)9-15(20)21)7-14(19)11-3-5-12(6-4-11)18(22)23/h3-7H,8-10H2,1-2H3,(H,20,21)/b13-7+