2-[(E)-furan-3-ylmethylideneamino]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[(E)-furan-3-ylmethylideneamino]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-[(E)-3-furylmethyleneamino]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-[(E)-3-furanylmethylideneamino]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-[(E)-furan-3-ylmethylideneamino]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-[(E)-3-furfurylideneamino]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C21H14N2O4 MolecularWeight: 358.34686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)N=CC4=COC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)/N=C/C4=COC=C4)C(=O)O

InChI

InChI=1S/C21H14N2O4/c24-20-17-9-5-4-8-16(17)18(15-6-2-1-3-7-15)19(21(25)26)23(20)22-12-14-10-11-27-13-14/h1-13H,(H,25,26)/b22-12+