[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(2-naphthylamino)-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-(2-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-2-ylamino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-keto-2-(2-naphthylamino)ethyl] ester Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)NC(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)NC(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C22H17N3O4/c23-12-11-20(26)24-18-8-6-16(7-9-18)22(28)29-14-21(27)25-19-10-5-15-3-1-2-4-17(15)13-19/h1-10,13H,11,14H2,(H,24,26)(H,25,27)