3-[(3Z)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoic acid

Systemtic Name: 3-[(3Z)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoic acid Openeye Name: 3-[(3Z)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]propanoic acid CAS Name: 3-[(3Z)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]propanoic acid IUPAC Name: 3-[(3Z)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]propanoic acid Traditional Name: 3-[(3Z)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]propionic acid Formula: C15H13N3O3 MolecularWeight: 283.28202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(C=CC2=O)CCC(=O)O)C3=NNNC3=C1

Isomeric SMILES

C1=C/C(=C/2\C=C(C=CC2=O)CCC(=O)O)/C3=NNNC3=C1

InChI

InChI=1S/C15H13N3O3/c19-13-6-4-9(5-7-14(20)21)8-11(13)10-2-1-3-12-15(10)17-18-16-12/h1-4,6,8,16,18H,5,7H2,(H,20,21)/b11-10-