[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-methoxyphenoxy)butanoate

Systemtic Name: [2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-methoxyphenoxy)butanoate Openeye Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl] 4-(4-methoxyphenoxy)butanoate CAS Name: 4-(4-methoxyphenoxy)butanoic acid [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate Traditional Name: 4-(4-methoxyphenoxy)butyric acid [2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl] ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CCCOC2=CC=C(C=C2)OC)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CCCOC2=CC=C(C=C2)OC)C

InChI

InChI=1S/C21H24N2O7/c1-14-6-11-18(23(26)27)21(15(14)2)22-19(24)13-30-20(25)5-4-12-29-17-9-7-16(28-3)8-10-17/h6-11H,4-5,12-13H2,1-3H3,(H,22,24)