4-[(2-chloranyl-5-nitro-phenyl)amino]-2-[2-(4-methoxyphenyl)ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-chloranyl-5-nitro-phenyl)amino]-2-[2-(4-methoxyphenyl)ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-chloro-5-nitro-anilino)-2-[2-(4-methoxyphenyl)ethylamino]-4-oxo-butanoic acid CAS Name: 4-(2-chloro-5-nitroanilino)-2-[2-(4-methoxyphenyl)ethylamino]-4-oxobutanoic acid IUPAC Name: 4-(2-chloro-5-nitroanilino)-2-[2-(4-methoxyphenyl)ethylamino]-4-oxobutanoic acid Traditional Name: 4-(2-chloro-5-nitro-anilino)-4-keto-2-[2-(4-methoxyphenyl)ethylamino]butyric acid Formula: C19H20ClN3O6 MolecularWeight: 421.8316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C19H20ClN3O6/c1-29-14-5-2-12(3-6-14)8-9-21-17(19(25)26)11-18(24)22-16-10-13(23(27)28)4-7-15(16)20/h2-7,10,17,21H,8-9,11H2,1H3,(H,22,24)(H,25,26)