(4-nitrophenyl) 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate hydrochloride

Systemtic Name: (4-nitrophenyl) 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate hydrochloride Openeye Name: (4-nitrophenyl) 4-(guanidinomethyl)cyclohexanecarboxylate hydrochloride CAS Name: 4-[(diaminomethylideneamino)methyl]-1-cyclohexanecarboxylic acid (4-nitrophenyl) ester hydrochloride IUPAC Name: (4-nitrophenyl) 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-(guanidinomethyl)cyclohexanecarboxylic acid (4-nitrophenyl) ester hydrochloride Formula: C15H21ClN4O4 MolecularWeight: 356.80464

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN=C(N)N)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-].Cl

Isomeric SMILES

C1CC(CCC1CN=C(N)N)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-].Cl

InChI

InChI=1S/C15H20N4O4.ClH/c16-15(17)18-9-10-1-3-11(4-2-10)14(20)23-13-7-5-12(6-8-13)19(21)22;/h5-8,10-11H,1-4,9H2,(H4,16,17,18);1H