3-[(E)-(6-oxidanyl-2-phenyl-chromen-4-ylidene)amino]-1H-1,2,4-triazole-5-carboxylic acid

Systemtic Name: 3-[(E)-(6-oxidanyl-2-phenyl-chromen-4-ylidene)amino]-1H-1,2,4-triazole-5-carboxylic acid Openeye Name: 3-[(E)-(6-hydroxy-2-phenyl-chromen-4-ylidene)amino]-1H-1,2,4-triazole-5-carboxylic acid CAS Name: 3-[(E)-(6-hydroxy-2-phenyl-1-benzopyran-4-ylidene)amino]-1H-1,2,4-triazole-5-carboxylic acid IUPAC Name: 3-[(E)-(6-hydroxy-2-phenylchromen-4-ylidene)amino]-1H-1,2,4-triazole-5-carboxylic acid Traditional Name: 3-[(E)-(6-hydroxy-2-phenyl-chromen-4-ylidene)amino]-1H-1,2,4-triazole-5-carboxylic acid Formula: C18H12N4O4 MolecularWeight: 348.31228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC3=NNC(=N3)C(=O)O)C4=C(O2)C=CC(=C4)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C/C(=N\C3=NNC(=N3)C(=O)O)/C4=C(O2)C=CC(=C4)O

InChI

InChI=1S/C18H12N4O4/c23-11-6-7-14-12(8-11)13(19-18-20-16(17(24)25)21-22-18)9-15(26-14)10-4-2-1-3-5-10/h1-9,23H,(H,24,25)(H,20,21,22)/b19-13+