[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] anthracene-9-carboxylate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] anthracene-9-carboxylate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C25H18N2O3 MolecularWeight: 394.42202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)OCC(=O)NC4=CC=C(C=C4)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)OCC(=O)NC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C25H18N2O3/c26-14-13-17-9-11-20(12-10-17)27-23(28)16-30-25(29)24-21-7-3-1-5-18(21)15-19-6-2-4-8-22(19)24/h1-12,15H,13,16H2,(H,27,28)