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4-[(5,6-dimethylbenzotriazol-1-yl)methylamino]benzoic acid

4-[(5,6-dimethylbenzotriazol-1-yl)methylamino]benzoic acid

Systemtic Name:4-[(5,6-dimethylbenzotriazol-1-yl)methylamino]benzoic acid
Openeye Name:4-[(5,6-dimethylbenzotriazol-1-yl)methylamino]benzoic acid
CAS Name:4-[(5,6-dimethyl-1-benzotriazolyl)methylamino]benzoic acid
IUPAC Name:4-[(5,6-dimethylbenzotriazol-1-yl)methylamino]benzoic acid
Traditional Name:4-[(5,6-dimethylbenzotriazol-1-yl)methylamino]benzoic acid
Formula: C16H16N4O2
MolecularWeight: 296.32384
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(N=N2)CNC3=CC=C(C=C3)C(=O)O


Isomeric SMILES

CC1=CC2=C(C=C1C)N(N=N2)CNC3=CC=C(C=C3)C(=O)O


InChI

InChI=1S/C16H16N4O2/c1-10-7-14-15(8-11(10)2)20(19-18-14)9-17-13-5-3-12(4-6-13)16(21)22/h3-8,17H,9H2,1-2H3,(H,21,22)


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