(2-chloranyl-4-nitro-phenyl) 4-[bis(azanyl)methylideneamino]benzoate hydrochloride

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 4-[bis(azanyl)methylideneamino]benzoate hydrochloride Openeye Name: (2-chloro-4-nitro-phenyl) 4-guanidinobenzoate hydrochloride CAS Name: 4-(diaminomethylideneamino)benzoic acid (2-chloro-4-nitrophenyl) ester hydrochloride IUPAC Name: (2-chloro-4-nitrophenyl) 4-(diaminomethylideneamino)benzoate hydrochloride Traditional Name: 4-guanidinobenzoic acid (2-chloro-4-nitro-phenyl) ester hydrochloride Formula: C14H12Cl2N4O4 MolecularWeight: 371.17548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)N=C(N)N.Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)N=C(N)N.Cl

InChI

InChI=1S/C14H11ClN4O4.ClH/c15-11-7-10(19(21)22)5-6-12(11)23-13(20)8-1-3-9(4-2-8)18-14(16)17;/h1-7H,(H4,16,17,18);1H