[3-[bis(azanyl)methylidenecarbamoyl]-5-tert-butyl-2-methoxy-phenyl] ethanoate hydrochloride

Systemtic Name: [3-[bis(azanyl)methylidenecarbamoyl]-5-tert-butyl-2-methoxy-phenyl] ethanoate hydrochloride Openeye Name: [5-tert-butyl-3-(diaminomethylenecarbamoyl)-2-methoxy-phenyl] acetate hydrochloride CAS Name: acetic acid [5-tert-butyl-3-[(diaminomethylideneamino)-oxomethyl]-2-methoxyphenyl] ester hydrochloride IUPAC Name: [5-tert-butyl-3-(diaminomethylidenecarbamoyl)-2-methoxyphenyl] acetate hydrochloride Traditional Name: acetic acid [5-tert-butyl-3-(diaminomethylenecarbamoyl)-2-methoxy-phenyl] ester hydrochloride Formula: C15H22ClN3O4 MolecularWeight: 343.80588

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=CC(=C1)C(C)(C)C)C(=O)N=C(N)N)OC.Cl

Isomeric SMILES

CC(=O)OC1=C(C(=CC(=C1)C(C)(C)C)C(=O)N=C(N)N)OC.Cl

InChI

InChI=1S/C15H21N3O4.ClH/c1-8(19)22-11-7-9(15(2,3)4)6-10(12(11)21-5)13(20)18-14(16)17;/h6-7H,1-5H3,(H4,16,17,18,20);1H