phenethyl 4-[(2-methyl-5-nitro-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[(2-methyl-5-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-(2-methyl-5-nitro-anilino)-4-oxo-butanoate CAS Name: 4-(2-methyl-5-nitroanilino)-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-(2-methyl-5-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(2-methyl-5-nitro-anilino)butyric acid phenethyl ester Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C19H20N2O5/c1-14-7-8-16(21(24)25)13-17(14)20-18(22)9-10-19(23)26-12-11-15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,20,22)