3-[(4-methoxyphenyl)methyl]-2-methyl-4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-2-methyl-4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[(4-methoxyphenyl)methyl]-2-methyl-4-(4-nitroanilino)-4-oxo-butanoic acid CAS Name: 3-[(4-methoxyphenyl)methyl]-2-methyl-4-(4-nitroanilino)-4-oxobutanoic acid IUPAC Name: 3-[(4-methoxyphenyl)methyl]-2-methyl-4-(4-nitroanilino)-4-oxobutanoic acid Traditional Name: 4-keto-2-methyl-4-(4-nitroanilino)-3-p-anisyl-butyric acid Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=C(C=C1)OC)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C(CC1=CC=C(C=C1)OC)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H20N2O6/c1-12(19(23)24)17(11-13-3-9-16(27-2)10-4-13)18(22)20-14-5-7-15(8-6-14)21(25)26/h3-10,12,17H,11H2,1-2H3,(H,20,22)(H,23,24)