(2,6-dimethyl-4-nitro-phenyl) 4-[bis(azanyl)methylideneamino]benzoate hydrochloride

Systemtic Name: (2,6-dimethyl-4-nitro-phenyl) 4-[bis(azanyl)methylideneamino]benzoate hydrochloride Openeye Name: (2,6-dimethyl-4-nitro-phenyl) 4-guanidinobenzoate hydrochloride CAS Name: 4-(diaminomethylideneamino)benzoic acid (2,6-dimethyl-4-nitrophenyl) ester hydrochloride IUPAC Name: (2,6-dimethyl-4-nitrophenyl) 4-(diaminomethylideneamino)benzoate hydrochloride Traditional Name: 4-guanidinobenzoic acid (2,6-dimethyl-4-nitro-phenyl) ester hydrochloride Formula: C16H17ClN4O4 MolecularWeight: 364.78358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=CC=C(C=C2)N=C(N)N)C)[N+](=O)[O-].Cl

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=CC=C(C=C2)N=C(N)N)C)[N+](=O)[O-].Cl

InChI

InChI=1S/C16H16N4O4.ClH/c1-9-7-13(20(22)23)8-10(2)14(9)24-15(21)11-3-5-12(6-4-11)19-16(17)18;/h3-8H,1-2H3,(H4,17,18,19);1H