(4-ethoxycarbonylphenyl) 4-[bis(azanyl)methylideneamino]benzoate hydrochloride

Systemtic Name: (4-ethoxycarbonylphenyl) 4-[bis(azanyl)methylideneamino]benzoate hydrochloride Openeye Name: (4-ethoxycarbonylphenyl) 4-guanidinobenzoate hydrochloride CAS Name: 4-(diaminomethylideneamino)benzoic acid (4-ethoxycarbonylphenyl) ester hydrochloride IUPAC Name: (4-ethoxycarbonylphenyl) 4-(diaminomethylideneamino)benzoate hydrochloride Traditional Name: 4-guanidinobenzoic acid (4-carbethoxyphenyl) ester hydrochloride Formula: C17H18ClN3O4 MolecularWeight: 363.79552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N.Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N.Cl

InChI

InChI=1S/C17H17N3O4.ClH/c1-2-23-15(21)11-5-9-14(10-6-11)24-16(22)12-3-7-13(8-4-12)20-17(18)19;/h3-10H,2H2,1H3,(H4,18,19,20);1H