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

Systemtic Name: (4-nitrophenyl) 4-[bis(azanyl)methylideneamino]benzoate hydrochloride Openeye Name: (4-nitrophenyl) 4-guanidinobenzoate hydrochloride CAS Name: 4-(diaminomethylideneamino)benzoic acid (4-nitrophenyl) ester hydrochloride IUPAC Name: (4-nitrophenyl) 4-(diaminomethylideneamino)benzoate hydrochloride Traditional Name: 4-guanidinobenzoic acid (4-nitrophenyl) ester hydrochloride Formula: C14H13ClN4O4 MolecularWeight: 336.73042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O4.ClH/c15-14(16)17-10-3-1-9(2-4-10)13(19)22-12-7-5-11(6-8-12)18(20)21;/h1-8H,(H4,15,16,17);1H