[3-[(E)-2-cyano-3-(cyclopropylamino)-3-oxidanylidene-prop-1-enyl]phenyl] furan-2-carboxylate

Systemtic Name: [3-[(E)-2-cyano-3-(cyclopropylamino)-3-oxidanylidene-prop-1-enyl]phenyl] furan-2-carboxylate Openeye Name: [3-[(E)-2-cyano-3-(cyclopropylamino)-3-oxo-prop-1-enyl]phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [3-[(E)-2-cyano-3-(cyclopropylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-(cyclopropylamino)-3-oxoprop-1-enyl]phenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [3-[(E)-2-cyano-3-(cyclopropylamino)-3-keto-prop-1-enyl]phenyl] ester Formula: C18H14N2O4 MolecularWeight: 322.31476

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(=CC2=CC(=CC=C2)OC(=O)C3=CC=CO3)C#N

Isomeric SMILES

C1CC1NC(=O)/C(=C/C2=CC(=CC=C2)OC(=O)C3=CC=CO3)/C#N

InChI

InChI=1S/C18H14N2O4/c19-11-13(17(21)20-14-6-7-14)9-12-3-1-4-15(10-12)24-18(22)16-5-2-8-23-16/h1-5,8-10,14H,6-7H2,(H,20,21)/b13-9+