2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-[(2-methoxy-4-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-[(2-methoxy-4-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-(2-methoxy-4-nitro-anilino)-4-oxo-butanoic acid CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-(2-methoxy-4-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-(2-methoxy-4-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-(homoveratrylamino)-4-keto-4-(2-methoxy-4-nitro-anilino)butyric acid Formula: C21H25N3O8 MolecularWeight: 447.4385

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O8/c1-30-17-7-4-13(10-19(17)32-3)8-9-22-16(21(26)27)12-20(25)23-15-6-5-14(24(28)29)11-18(15)31-2/h4-7,10-11,16,22H,8-9,12H2,1-3H3,(H,23,25)(H,26,27)