4-[(E)-[1,3-bis(oxidanylidene)isoquinolin-4-ylidene]methyl]benzoic acid

Systemtic Name: 4-[(E)-[1,3-bis(oxidanylidene)isoquinolin-4-ylidene]methyl]benzoic acid Openeye Name: 4-[(E)-(1,3-dioxo-4-isoquinolylidene)methyl]benzoic acid CAS Name: 4-[(E)-(1,3-dioxo-4-isoquinolinylidene)methyl]benzoic acid IUPAC Name: 4-[(E)-(1,3-dioxoisoquinolin-4-ylidene)methyl]benzoic acid Traditional Name: 4-[(E)-(1,3-diketo-4-isoquinolylidene)methyl]benzoic acid Formula: C17H11NO4 MolecularWeight: 293.27354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC3=CC=C(C=C3)C(=O)O)C(=O)NC2=O

Isomeric SMILES

C1=CC=C2C(=C1)/C(=C\C3=CC=C(C=C3)C(=O)O)/C(=O)NC2=O

InChI

InChI=1S/C17H11NO4/c19-15-13-4-2-1-3-12(13)14(16(20)18-15)9-10-5-7-11(8-6-10)17(21)22/h1-9H,(H,21,22)(H,18,19,20)/b14-9+