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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-oxidanylidenechromene-3-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-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=CC2=CC=CC=C2OC1=O)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC2=CC=CC=C2OC1=O)/N

InChI

InChI=1S/C16H12N2O5/c1-9(18)12(7-17)13(19)8-22-15(20)11-6-10-4-2-3-5-14(10)23-16(11)21/h2-6H,8,18H2,1H3/b12-9+