2-[4-[(4-methoxycarbonylphenyl)methyl]-6-methyl-3-nitro-2-oxidanylidene-1-(phenylmethyl)pyridin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[4-[(4-methoxycarbonylphenyl)methyl]-6-methyl-3-nitro-2-oxidanylidene-1-(phenylmethyl)pyridin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-benzyl-4-[(4-methoxycarbonylphenyl)methyl]-6-methyl-3-nitro-2-oxo-pyridin-1-ium-1-yl]acetic acid CAS Name: 2-[4-[(4-methoxycarbonylphenyl)methyl]-6-methyl-3-nitro-2-oxo-1-(phenylmethyl)-1-pyridin-1-iumyl]acetic acid IUPAC Name: 2-[1-benzyl-4-[(4-methoxycarbonylphenyl)methyl]-6-methyl-3-nitro-2-oxopyridin-1-ium-1-yl]acetic acid Traditional Name: 2-[1-benzyl-4-(4-carbomethoxybenzyl)-2-keto-6-methyl-3-nitro-pyridin-1-ium-1-yl]acetic acid Formula: C24H23N2O7+ MolecularWeight: 451.44862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)[N+]1(CC2=CC=CC=C2)CC(=O)O)[N+](=O)[O-])CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C(=O)[N+]1(CC2=CC=CC=C2)CC(=O)O)[N+](=O)[O-])CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H22N2O7/c1-16-12-20(13-17-8-10-19(11-9-17)24(30)33-2)22(25(31)32)23(29)26(16,15-21(27)28)14-18-6-4-3-5-7-18/h3-12H,13-15H2,1-2H3/p+1