[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] 4-[(4-bromanyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] 4-[(4-bromanyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(1-naphthylamino)-2-oxo-ethyl] 4-(4-bromo-2-methyl-anilino)-4-oxo-butanoate CAS Name: 4-(4-bromo-2-methylanilino)-4-oxobutanoic acid [2-(1-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(4-bromo-2-methylanilino)-4-oxobutanoate Traditional Name: 4-(4-bromo-2-methyl-anilino)-4-keto-butyric acid [2-keto-2-(1-naphthylamino)ethyl] ester Formula: C23H21BrN2O4 MolecularWeight: 469.32784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CCC(=O)OCC(=O)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CCC(=O)OCC(=O)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C23H21BrN2O4/c1-15-13-17(24)9-10-19(15)25-21(27)11-12-23(29)30-14-22(28)26-20-8-4-6-16-5-2-3-7-18(16)20/h2-10,13H,11-12,14H2,1H3,(H,25,27)(H,26,28)