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

Systemtic Name: 3-[5-[(E)-3-(aminocarbonylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: 3-[5-[(E)-2-cyano-3-oxo-3-ureido-prop-1-enyl]-2-furyl]benzoate CAS Name: 3-[5-[(E)-3-(carbamoylamino)-2-cyano-3-oxoprop-1-enyl]-2-furanyl]benzoate IUPAC Name: 3-[5-[(E)-3-(carbamoylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 3-[5-[(E)-2-cyano-3-keto-3-ureido-prop-1-enyl]-2-furyl]benzoate Formula: C16H10N3O5- MolecularWeight: 324.2677

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)[O-])C2=CC=C(O2)C=C(C#N)C(=O)NC(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)[O-])C2=CC=C(O2)/C=C(\C#N)/C(=O)NC(=O)N

InChI

InChI=1S/C16H11N3O5/c17-8-11(14(20)19-16(18)23)7-12-4-5-13(24-12)9-2-1-3-10(6-9)15(21)22/h1-7H,(H,21,22)(H3,18,19,20,23)/p-1/b11-7+