5-[5-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]-2-chloranyl-benzoate

Systemtic Name: 5-[5-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]-2-chloranyl-benzoate Openeye Name: 5-[5-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-furyl]-2-chloro-benzoate CAS Name: 5-[5-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-furanyl]-2-chlorobenzoate IUPAC Name: 5-[5-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]furan-2-yl]-2-chlorobenzoate Traditional Name: 5-[5-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-furyl]-2-chloro-benzoate Formula: C15H8ClN2O4- MolecularWeight: 315.68802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC=C(O2)C=C(C#N)C(=O)N)C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C2=CC=C(O2)/C=C(\C#N)/C(=O)N)C(=O)[O-])Cl

InChI

InChI=1S/C15H9ClN2O4/c16-12-3-1-8(6-11(12)15(20)21)13-4-2-10(22-13)5-9(7-17)14(18)19/h1-6H,(H2,18,19)(H,20,21)/p-1/b9-5+