2-[2-(4-methoxyphenyl)ethylamino]-4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[2-(4-methoxyphenyl)ethylamino]-4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-[2-(4-methoxyphenyl)ethylamino]-4-(4-methyl-2-nitro-anilino)-4-oxo-butanoic acid CAS Name: 2-[2-(4-methoxyphenyl)ethylamino]-4-(4-methyl-2-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-[2-(4-methoxyphenyl)ethylamino]-4-(4-methyl-2-nitroanilino)-4-oxobutanoic acid Traditional Name: 4-keto-2-[2-(4-methoxyphenyl)ethylamino]-4-(4-methyl-2-nitro-anilino)butyric acid Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC(C(=O)O)NCCC2=CC=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CC(C(=O)O)NCCC2=CC=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6/c1-13-3-8-16(18(11-13)23(27)28)22-19(24)12-17(20(25)26)21-10-9-14-4-6-15(29-2)7-5-14/h3-8,11,17,21H,9-10,12H2,1-2H3,(H,22,24)(H,25,26)