(2,4-dinitrophenyl) 4-[bis(azanyl)methylideneamino]benzoate hydrochloride

Systemtic Name: (2,4-dinitrophenyl) 4-[bis(azanyl)methylideneamino]benzoate hydrochloride Openeye Name: (2,4-dinitrophenyl) 4-guanidinobenzoate hydrochloride CAS Name: 4-(diaminomethylideneamino)benzoic acid (2,4-dinitrophenyl) ester hydrochloride IUPAC Name: (2,4-dinitrophenyl) 4-(diaminomethylideneamino)benzoate hydrochloride Traditional Name: 4-guanidinobenzoic acid (2,4-dinitrophenyl) ester hydrochloride Formula: C14H12ClN5O6 MolecularWeight: 381.72798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N5O6.ClH/c15-14(16)17-9-3-1-8(2-4-9)13(20)25-12-6-5-10(18(21)22)7-11(12)19(23)24;/h1-7H,(H4,15,16,17);1H