propan-2-yl 4-[5-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate

Systemtic Name: propan-2-yl 4-[5-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: isopropyl 4-[5-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-furanyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[5-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-furyl]benzoic acid isopropyl ester Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)N

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C18H16N2O4/c1-11(2)23-18(22)13-5-3-12(4-6-13)16-8-7-15(24-16)9-14(10-19)17(20)21/h3-9,11H,1-2H3,(H2,20,21)/b14-9+