4-cyano-4-[3-methyl-1,4-bis(oxidanylidene)naphthalen-2-yl]butanoic acid

Systemtic Name: 4-cyano-4-[3-methyl-1,4-bis(oxidanylidene)naphthalen-2-yl]butanoic acid Openeye Name: 4-cyano-4-(3-methyl-1,4-dioxo-2-naphthyl)butanoic acid CAS Name: 4-cyano-4-(3-methyl-1,4-dioxo-2-naphthalenyl)butanoic acid IUPAC Name: 4-cyano-4-(3-methyl-1,4-dioxonaphthalen-2-yl)butanoic acid Traditional Name: 4-cyano-4-(1,4-diketo-3-methyl-2-naphthyl)butyric acid Formula: C16H13NO4 MolecularWeight: 283.27872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=CC=CC=C2C1=O)C(CCC(=O)O)C#N

Isomeric SMILES

CC1=C(C(=O)C2=CC=CC=C2C1=O)C(CCC(=O)O)C#N

InChI

InChI=1S/C16H13NO4/c1-9-14(10(8-17)6-7-13(18)19)16(21)12-5-3-2-4-11(12)15(9)20/h2-5,10H,6-7H2,1H3,(H,18,19)