[6-[(4-nitrophenyl)amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]azanium chloride

Systemtic Name: [6-[(4-nitrophenyl)amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]azanium chloride Openeye Name: [5-(benzyloxycarbonylamino)-6-(4-nitroanilino)-6-oxo-hexyl]ammonium chloride CAS Name: [6-(4-nitroanilino)-6-oxo-5-(phenylmethoxycarbonylamino)hexyl]ammonium chloride IUPAC Name: [6-(4-nitroanilino)-6-oxo-5-(phenylmethoxycarbonylamino)hexyl]azanium chloride Traditional Name: [5-(benzyloxycarbonylamino)-6-keto-6-(4-nitroanilino)hexyl]ammonium chloride Formula: C20H25ClN4O5 MolecularWeight: 436.8893

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCC[NH3+])C(=O)NC2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCCC[NH3+])C(=O)NC2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C20H24N4O5.ClH/c21-13-5-4-8-18(23-20(26)29-14-15-6-2-1-3-7-15)19(25)22-16-9-11-17(12-10-16)24(27)28;/h1-3,6-7,9-12,18H,4-5,8,13-14,21H2,(H,22,25)(H,23,26);1H