4-[3-[(4-methylphenyl)azaniumyl]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: 4-[3-[(4-methylphenyl)azaniumyl]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: 4-[2,5-dioxo-3-(p-tolylammonio)pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[(4-methylphenyl)ammonio]-2,5-dioxo-1-pyrrolidinyl]benzoate IUPAC Name: 4-[3-[(4-methylphenyl)azaniumyl]-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[2,5-diketo-3-(p-tolylammonio)pyrrolidino]benzoate Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[NH2+]C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[NH2+]C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C18H16N2O4/c1-11-2-6-13(7-3-11)19-15-10-16(21)20(17(15)22)14-8-4-12(5-9-14)18(23)24/h2-9,15,19H,10H2,1H3,(H,23,24)