3-[(4Z)-1,3-bis(oxidanylidene)-4-(quinoxalin-2-ylmethylidene)isoquinolin-2-yl]propanoic acid

Systemtic Name: 3-[(4Z)-1,3-bis(oxidanylidene)-4-(quinoxalin-2-ylmethylidene)isoquinolin-2-yl]propanoic acid Openeye Name: 3-[(4Z)-1,3-dioxo-4-(quinoxalin-2-ylmethylene)-2-isoquinolyl]propanoic acid CAS Name: 3-[(4Z)-1,3-dioxo-4-(2-quinoxalinylmethylidene)-2-isoquinolinyl]propanoic acid IUPAC Name: 3-[(4Z)-1,3-dioxo-4-(quinoxalin-2-ylmethylidene)isoquinolin-2-yl]propanoic acid Traditional Name: 3-[(4Z)-1,3-diketo-4-(quinoxalin-2-ylmethylene)-2-isoquinolyl]propionic acid Formula: C21H15N3O4 MolecularWeight: 373.3615

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC3=NC4=CC=CC=C4N=C3)C(=O)N(C2=O)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)/C(=C/C3=NC4=CC=CC=C4N=C3)/C(=O)N(C2=O)CCC(=O)O

InChI

InChI=1S/C21H15N3O4/c25-19(26)9-10-24-20(27)15-6-2-1-5-14(15)16(21(24)28)11-13-12-22-17-7-3-4-8-18(17)23-13/h1-8,11-12H,9-10H2,(H,25,26)/b16-11-