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

Systemtic Name: (4-nitrophenyl) 4-[bis(azanyl)methylideneamino]benzoate chloride Openeye Name: (4-nitrophenyl) 4-guanidinobenzoate chloride CAS Name: 4-(diaminomethylideneamino)benzoic acid (4-nitrophenyl) ester chloride IUPAC Name: (4-nitrophenyl) 4-(diaminomethylideneamino)benzoate chloride Traditional Name: 4-guanidinobenzoic acid (4-nitrophenyl) ester chloride Formula: C14H12ClN4O4- MolecularWeight: 335.72248

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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/p-1