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

Systemtic Name: [2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 5-[(3-methylphenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(4-chloro-3-nitro-phenyl)-2-oxo-ethyl] 5-(3-methylanilino)-5-oxo-pentanoate CAS Name: 5-(3-methylanilino)-5-oxopentanoic acid [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 5-(3-methylanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(m-toluidino)valeric acid [2-(4-chloro-3-nitro-phenyl)-2-keto-ethyl] ester Formula: C20H19ClN2O6 MolecularWeight: 418.82766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O6/c1-13-4-2-5-15(10-13)22-19(25)6-3-7-20(26)29-12-18(24)14-8-9-16(21)17(11-14)23(27)28/h2,4-5,8-11H,3,6-7,12H2,1H3,(H,22,25)