[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 5-[(3-nitrophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 5-[(3-nitrophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(2,5-dimethoxyanilino)-2-oxo-ethyl] 5-(3-nitroanilino)-5-oxo-pentanoate CAS Name: 5-(3-nitroanilino)-5-oxopentanoic acid [2-(2,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyanilino)-2-oxoethyl] 5-(3-nitroanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(3-nitroanilino)valeric acid [2-(2,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C21H23N3O8 MolecularWeight: 445.42262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O8/c1-30-16-9-10-18(31-2)17(12-16)23-20(26)13-32-21(27)8-4-7-19(25)22-14-5-3-6-15(11-14)24(28)29/h3,5-6,9-12H,4,7-8,13H2,1-2H3,(H,22,25)(H,23,26)