5-[5-[(Z)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[5-[(Z)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[5-[(Z)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-furyl]benzene-1,3-dicarboxylic acid CAS Name: 5-[5-[(Z)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-furanyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[5-[(Z)-3-amino-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[5-[(Z)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-furyl]isophthalic acid Formula: C16H10N2O6 MolecularWeight: 326.2604

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)C2=CC(=CC(=C2)C(=O)O)C(=O)O)C=C(C#N)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C16H10N2O6/c17-7-11(14(18)19)6-12-1-2-13(24-12)8-3-9(15(20)21)5-10(4-8)16(22)23/h1-6H,(H2,18,19)(H,20,21)(H,22,23)/b11-6-