(phenylmethyl) 3,6-bis(oxidanylidene)-2-[(phenylmethyl)amino]cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: (phenylmethyl) 3,6-bis(oxidanylidene)-2-[(phenylmethyl)amino]cyclohexa-1,4-diene-1-carboxylate Openeye Name: benzyl 2-(benzylamino)-3,6-dioxo-cyclohexa-1,4-diene-1-carboxylate CAS Name: 3,6-dioxo-2-[(phenylmethyl)amino]-1-cyclohexa-1,4-dienecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(benzylamino)-3,6-dioxocyclohexa-1,4-diene-1-carboxylate Traditional Name: 2-(benzylamino)-3,6-diketo-cyclohexa-1,4-diene-1-carboxylic acid benzyl ester Formula: C21H17NO4 MolecularWeight: 347.36398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=O)C=CC2=O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=O)C=CC2=O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H17NO4/c23-17-11-12-18(24)20(22-13-15-7-3-1-4-8-15)19(17)21(25)26-14-16-9-5-2-6-10-16/h1-12,22H,13-14H2