benzotriazol-1-ylmethyl 2-[(E)-2-phenylethenyl]quinoline-4-carboxylate

Systemtic Name: benzotriazol-1-ylmethyl 2-[(E)-2-phenylethenyl]quinoline-4-carboxylate Openeye Name: benzotriazol-1-ylmethyl 2-[(E)-styryl]quinoline-4-carboxylate CAS Name: 2-[(E)-2-phenylethenyl]-4-quinolinecarboxylic acid 1-benzotriazolylmethyl ester IUPAC Name: benzotriazol-1-ylmethyl 2-[(E)-2-phenylethenyl]quinoline-4-carboxylate Traditional Name: 2-[(E)-styryl]cinchoninic acid benzotriazol-1-ylmethyl ester Formula: C25H18N4O2 MolecularWeight: 406.43602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3C(=C2)C(=O)OCN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=C2)C(=O)OCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C25H18N4O2/c30-25(31-17-29-24-13-7-6-12-23(24)27-28-29)21-16-19(15-14-18-8-2-1-3-9-18)26-22-11-5-4-10-20(21)22/h1-16H,17H2/b15-14+