[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] anthracene-9-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] anthracene-9-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C21H16N2O3 MolecularWeight: 344.36334

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31)/N

InChI

InChI=1S/C21H16N2O3/c1-13(23)18(11-22)19(24)12-26-21(25)20-16-8-4-2-6-14(16)10-15-7-3-5-9-17(15)20/h2-10H,12,23H2,1H3/b18-13+