[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-[[2,5-bis(chloranyl)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-[[2,5-bis(chloranyl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 4-(2,5-dichloroanilino)-4-oxo-butanoate CAS Name: 4-(2,5-dichloroanilino)-4-oxobutanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-(2,5-dichloroanilino)-4-oxobutanoate Traditional Name: 4-(2,5-dichloroanilino)-4-keto-butyric acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C19H16Cl2N2O6 MolecularWeight: 439.24614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CCC(=O)NC2=C(C=CC(=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCC(=O)NC2=C(C=CC(=C2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H16Cl2N2O6/c1-11-2-3-12(8-16(11)23(27)28)17(24)10-29-19(26)7-6-18(25)22-15-9-13(20)4-5-14(15)21/h2-5,8-9H,6-7,10H2,1H3,(H,22,25)