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

Systemtic Name: [2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 5-[(3-chloranyl-4-methyl-phenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(4-chloro-3-nitro-phenyl)-2-oxo-ethyl] 5-(3-chloro-4-methyl-anilino)-5-oxo-pentanoate CAS Name: 5-(3-chloro-4-methylanilino)-5-oxopentanoic acid [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 5-(3-chloro-4-methylanilino)-5-oxopentanoate Traditional Name: 5-(3-chloro-4-methyl-anilino)-5-keto-valeric acid [2-(4-chloro-3-nitro-phenyl)-2-keto-ethyl] ester Formula: C20H18Cl2N2O6 MolecularWeight: 453.27272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCCC(=O)OCC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCCC(=O)OCC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H18Cl2N2O6/c1-12-5-7-14(10-16(12)22)23-19(26)3-2-4-20(27)30-11-18(25)13-6-8-15(21)17(9-13)24(28)29/h5-10H,2-4,11H2,1H3,(H,23,26)