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

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-(4-methyl-2-nitro-anilino)-4-oxo-butanoic acid CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-(4-methyl-2-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-(4-methyl-2-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-(homoveratrylamino)-4-keto-4-(4-methyl-2-nitro-anilino)butyric acid Formula: C21H25N3O7 MolecularWeight: 431.4391

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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)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O7/c1-13-4-6-15(17(10-13)24(28)29)23-20(25)12-16(21(26)27)22-9-8-14-5-7-18(30-2)19(11-14)31-3/h4-7,10-11,16,22H,8-9,12H2,1-3H3,(H,23,25)(H,26,27)