1,1-dimethyl-2-oxidanylidene-8-(1,2,4-triazol-1-ylmethyl)benzo[e][1]benzofuran-7-carboxylic acid

Systemtic Name: 1,1-dimethyl-2-oxidanylidene-8-(1,2,4-triazol-1-ylmethyl)benzo[e][1]benzofuran-7-carboxylic acid Openeye Name: 1,1-dimethyl-2-oxo-8-(1,2,4-triazol-1-ylmethyl)benzo[e]benzofuran-7-carboxylic acid CAS Name: 1,1-dimethyl-2-oxo-8-(1,2,4-triazol-1-ylmethyl)-7-benzo[e]benzofurancarboxylic acid IUPAC Name: 1,1-dimethyl-2-oxo-8-(1,2,4-triazol-1-ylmethyl)benzo[e][1]benzofuran-7-carboxylic acid Traditional Name: 2-keto-1,1-dimethyl-8-(1,2,4-triazol-1-ylmethyl)benzo[e]benzofuran-7-carboxylic acid Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC3=CC(=C(C=C32)CN4C=NC=N4)C(=O)O)OC1=O)C

Isomeric SMILES

CC1(C2=C(C=CC3=CC(=C(C=C32)CN4C=NC=N4)C(=O)O)OC1=O)C

InChI

InChI=1S/C18H15N3O4/c1-18(2)15-12-6-11(7-21-9-19-8-20-21)13(16(22)23)5-10(12)3-4-14(15)25-17(18)24/h3-6,8-9H,7H2,1-2H3,(H,22,23)