3,4-bis(azanyl)-2-(4-tert-butylphenyl)carbonyl-benzoic acid hydrochloride

Systemtic Name: 3,4-bis(azanyl)-2-(4-tert-butylphenyl)carbonyl-benzoic acid hydrochloride Openeye Name: 3,4-diamino-2-(4-tert-butylbenzoyl)benzoic acid hydrochloride CAS Name: 3,4-diamino-2-[(4-tert-butylphenyl)-oxomethyl]benzoic acid hydrochloride IUPAC Name: 3,4-diamino-2-(4-tert-butylbenzoyl)benzoic acid hydrochloride Traditional Name: 3,4-diamino-2-(4-tert-butylbenzoyl)benzoic acid hydrochloride Formula: C18H21ClN2O3 MolecularWeight: 348.82394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2N)N)C(=O)O.Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2N)N)C(=O)O.Cl

InChI

InChI=1S/C18H20N2O3.ClH/c1-18(2,3)11-6-4-10(5-7-11)16(21)14-12(17(22)23)8-9-13(19)15(14)20;/h4-9H,19-20H2,1-3H3,(H,22,23);1H