(4-nitrophenyl) 4-[bis(azanyl)methylideneamino]-2-methyl-benzoate hydrochloride

Systemtic Name: (4-nitrophenyl) 4-[bis(azanyl)methylideneamino]-2-methyl-benzoate hydrochloride Openeye Name: (4-nitrophenyl) 4-guanidino-2-methyl-benzoate hydrochloride CAS Name: 4-(diaminomethylideneamino)-2-methylbenzoic acid (4-nitrophenyl) ester hydrochloride IUPAC Name: (4-nitrophenyl) 4-(diaminomethylideneamino)-2-methylbenzoate hydrochloride Traditional Name: 4-guanidino-2-methyl-benzoic acid (4-nitrophenyl) ester hydrochloride Formula: C15H15ClN4O4 MolecularWeight: 350.757

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N=C(N)N)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-].Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N=C(N)N)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-].Cl

InChI

InChI=1S/C15H14N4O4.ClH/c1-9-8-10(18-15(16)17)2-7-13(9)14(20)23-12-5-3-11(4-6-12)19(21)22;/h2-8H,1H3,(H4,16,17,18);1H