(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]-N-nitro-N-phenyl-pentanamide

Systemtic Name: (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]-N-nitro-N-phenyl-pentanamide Openeye Name: (2S)-2-amino-5-guanidino-N-nitro-N-phenyl-pentanamide CAS Name: (2S)-2-amino-5-(diaminomethylideneamino)-N-nitro-N-phenylpentanamide IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)-N-nitro-N-phenylpentanamide Traditional Name: (2S)-2-amino-5-guanidino-N-nitro-N-phenyl-valeramide Formula: C12H18N6O3 MolecularWeight: 294.30972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N6O3/c13-10(7-4-8-16-12(14)15)11(19)17(18(20)21)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,13H2,(H4,14,15,16)/t10-/m0/s1