3,4-bis(azanyl)benzoic acid; 6-bromanyl-1,3-benzodioxol-5-ol

Systemtic Name: 3,4-bis(azanyl)benzoic acid; 6-bromanyl-1,3-benzodioxol-5-ol Openeye Name: 6-bromo-1,3-benzodioxol-5-ol; 3,4-diaminobenzoic acid CAS Name: 6-bromo-1,3-benzodioxol-5-ol; 3,4-diaminobenzoic acid IUPAC Name: 6-bromo-1,3-benzodioxol-5-ol; 3,4-diaminobenzoic acid Traditional Name: 6-bromosesamol; 3,4-diaminobenzoic acid Formula: C14H13BrN2O5 MolecularWeight: 369.16742

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC(=C(C=C2O1)Br)O.C1=CC(=C(C=C1C(=O)O)N)N

Isomeric SMILES

C1OC2=CC(=C(C=C2O1)Br)O.C1=CC(=C(C=C1C(=O)O)N)N

InChI

InChI=1S/C7H5BrO3.C7H8N2O2/c8-4-1-6-7(2-5(4)9)11-3-10-6;8-5-2-1-4(7(10)11)3-6(5)9/h1-2,9H,3H2;1-3H,8-9H2,(H,10,11)