5-[bis(azanyl)methylideneamino]-2-nitramido-N-(4-nitrophenyl)pentanamide

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-nitramido-N-(4-nitrophenyl)pentanamide Openeye Name: 5-guanidino-2-nitramido-N-(4-nitrophenyl)pentanamide CAS Name: 5-(diaminomethylideneamino)-2-nitramido-N-(4-nitrophenyl)pentanamide IUPAC Name: 5-(diaminomethylideneamino)-2-nitramido-N-(4-nitrophenyl)pentanamide Traditional Name: 5-guanidino-2-nitramido-N-(4-nitrophenyl)valeramide Formula: C12H17N7O5 MolecularWeight: 339.30728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C(CCCN=C(N)N)N[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C(CCCN=C(N)N)N[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H17N7O5/c13-12(14)15-7-1-2-10(17-19(23)24)11(20)16-8-3-5-9(6-4-8)18(21)22/h3-6,10,17H,1-2,7H2,(H,16,20)(H4,13,14,15)