4-[7-methyl-7-oxidanyl-6,8-bis(oxidanylidene)isochromen-3-yl]benzenecarbonitrile

Systemtic Name: 4-[7-methyl-7-oxidanyl-6,8-bis(oxidanylidene)isochromen-3-yl]benzenecarbonitrile Openeye Name: 4-(7-hydroxy-7-methyl-6,8-dioxo-isochromen-3-yl)benzonitrile CAS Name: 4-(7-hydroxy-7-methyl-6,8-dioxo-2-benzopyran-3-yl)benzonitrile IUPAC Name: 4-(7-hydroxy-7-methyl-6,8-dioxoisochromen-3-yl)benzonitrile Traditional Name: 4-(7-hydroxy-6,8-diketo-7-methyl-isochromen-3-yl)benzonitrile Formula: C17H11NO4 MolecularWeight: 293.27354

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(OC=C2C1=O)C3=CC=C(C=C3)C#N)O

Isomeric SMILES

CC1(C(=O)C=C2C=C(OC=C2C1=O)C3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C17H11NO4/c1-17(21)15(19)7-12-6-14(22-9-13(12)16(17)20)11-4-2-10(8-18)3-5-11/h2-7,9,21H,1H3