2-[(Z)-4-(4-azanyl-6,7-dimethyl-3-oxidanylidene-1H-2-benzofuran-5-yl)but-2-en-2-yl]furan-3-carboxylic acid

Systemtic Name: 2-[(Z)-4-(4-azanyl-6,7-dimethyl-3-oxidanylidene-1H-2-benzofuran-5-yl)but-2-en-2-yl]furan-3-carboxylic acid Openeye Name: 2-[(Z)-3-(4-amino-6,7-dimethyl-3-oxo-1H-isobenzofuran-5-yl)-1-methyl-prop-1-enyl]furan-3-carboxylic acid CAS Name: 2-[(Z)-4-(4-amino-6,7-dimethyl-3-oxo-1H-isobenzofuran-5-yl)but-2-en-2-yl]-3-furancarboxylic acid IUPAC Name: 2-[(Z)-4-(4-amino-6,7-dimethyl-3-oxo-1H-2-benzofuran-5-yl)but-2-en-2-yl]furan-3-carboxylic acid Traditional Name: 2-[(Z)-3-(4-amino-3-keto-6,7-dimethyl-phthalan-5-yl)-1-methyl-prop-1-enyl]-3-furoic acid Formula: C19H19NO5 MolecularWeight: 341.35786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)N)CC=C(C)C3=C(C=CO3)C(=O)O)C

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)N)C/C=C(/C)\C3=C(C=CO3)C(=O)O)C

InChI

InChI=1S/C19H19NO5/c1-9(17-13(18(21)22)6-7-24-17)4-5-12-10(2)11(3)14-8-25-19(23)15(14)16(12)20/h4,6-7H,5,8,20H2,1-3H3,(H,21,22)/b9-4-