(4-nitrophenyl)methyl 4-[(5-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (4-nitrophenyl)methyl 4-[(5-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (4-nitrophenyl)methyl 4-(5-chloro-2-methyl-anilino)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-methylanilino)-4-oxobutanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-(5-chloro-2-methylanilino)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-methyl-anilino)-4-keto-butyric acid (4-nitrobenzyl) ester Formula: C18H17ClN2O5 MolecularWeight: 376.79098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)CCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)CCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN2O5/c1-12-2-5-14(19)10-16(12)20-17(22)8-9-18(23)26-11-13-3-6-15(7-4-13)21(24)25/h2-7,10H,8-9,11H2,1H3,(H,20,22)