6-cyano-3-methyl-4-oxidanylidene-2-phenyl-2H-chromene-3-carboxylic acid

Systemtic Name: 6-cyano-3-methyl-4-oxidanylidene-2-phenyl-2H-chromene-3-carboxylic acid Openeye Name: 6-cyano-3-methyl-4-oxo-2-phenyl-chromane-3-carboxylic acid CAS Name: 6-cyano-3-methyl-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-cyano-3-methyl-4-oxo-2-phenyl-2H-chromene-3-carboxylic acid Traditional Name: 6-cyano-4-keto-3-methyl-2-phenyl-chroman-3-carboxylic acid Formula: C18H13NO4 MolecularWeight: 307.30012

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(OC2=C(C1=O)C=C(C=C2)C#N)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1(C(OC2=C(C1=O)C=C(C=C2)C#N)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H13NO4/c1-18(17(21)22)15(20)13-9-11(10-19)7-8-14(13)23-16(18)12-5-3-2-4-6-12/h2-9,16H,1H3,(H,21,22)