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

Systemtic Name: 2-chloranyl-5-[5-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]furan-2-yl]benzoate Openeye Name: 2-chloro-5-[5-[(E)-2-cyano-3-(isopropylamino)-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 2-chloro-5-[5-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-furanyl]benzoate IUPAC Name: 2-chloro-5-[5-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]furan-2-yl]benzoate Traditional Name: 2-chloro-5-[5-[(E)-2-cyano-3-(isopropylamino)-3-keto-prop-1-enyl]-2-furyl]benzoate Formula: C18H14ClN2O4- MolecularWeight: 357.76776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(=CC1=CC=C(O1)C2=CC(=C(C=C2)Cl)C(=O)[O-])C#N

Isomeric SMILES

CC(C)NC(=O)/C(=C/C1=CC=C(O1)C2=CC(=C(C=C2)Cl)C(=O)[O-])/C#N

InChI

InChI=1S/C18H15ClN2O4/c1-10(2)21-17(22)12(9-20)7-13-4-6-16(25-13)11-3-5-15(19)14(8-11)18(23)24/h3-8,10H,1-2H3,(H,21,22)(H,23,24)/p-1/b12-7+