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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-oxidanylidenechromene-2-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-oxochromene-2-carboxylate CAS Name: 4-oxo-1-benzopyran-2-carboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4-oxochromene-2-carboxylate Traditional Name: 4-ketochromene-2-carboxylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C16H12N2O5 MolecularWeight: 312.27688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC(=O)C2=CC=CC=C2O1)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC(=O)C2=CC=CC=C2O1)/N

InChI

InChI=1S/C16H12N2O5/c1-9(18)11(7-17)13(20)8-22-16(21)15-6-12(19)10-4-2-3-5-14(10)23-15/h2-6H,8,18H2,1H3/b11-9+