4-(1,7-dihydro-1,2,4,6-tetrazepin-6-yl)benzoic acid

Systemtic Name: 4-(1,7-dihydro-1,2,4,6-tetrazepin-6-yl)benzoic acid Openeye Name: 4-(1,7-dihydro-1,2,4,6-tetrazepin-6-yl)benzoic acid CAS Name: 4-(1,7-dihydro-1,2,4,6-tetrazepin-6-yl)benzoic acid IUPAC Name: 4-(1,7-dihydro-1,2,4,6-tetrazepin-6-yl)benzoic acid Traditional Name: 4-(1,7-dihydro-1,2,4,6-tetrazepin-6-yl)benzoic acid Formula: C10H10N4O2 MolecularWeight: 218.212

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Descriptors Computed from Structure

Canonical SMILES:

C1NN=CN=CN1C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1NN=CN=CN1C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C10H10N4O2/c15-10(16)8-1-3-9(4-2-8)14-6-11-5-12-13-7-14/h1-6,13H,7H2,(H,15,16)