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

Systemtic Name: 4-[(2-methoxy-4-nitro-phenyl)amino]-2-[2-(4-methoxyphenyl)ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-methoxy-4-nitro-anilino)-2-[2-(4-methoxyphenyl)ethylamino]-4-oxo-butanoic acid CAS Name: 4-(2-methoxy-4-nitroanilino)-2-[2-(4-methoxyphenyl)ethylamino]-4-oxobutanoic acid IUPAC Name: 4-(2-methoxy-4-nitroanilino)-2-[2-(4-methoxyphenyl)ethylamino]-4-oxobutanoic acid Traditional Name: 4-keto-4-(2-methoxy-4-nitro-anilino)-2-[2-(4-methoxyphenyl)ethylamino]butyric acid Formula: C20H23N3O7 MolecularWeight: 417.41252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O7/c1-29-15-6-3-13(4-7-15)9-10-21-17(20(25)26)12-19(24)22-16-8-5-14(23(27)28)11-18(16)30-2/h3-8,11,17,21H,9-10,12H2,1-2H3,(H,22,24)(H,25,26)