5-[[azanyl(nitramido)methylidene]amino]-2-(2-azanylpropanoylamino)-N-(4-nitrophenyl)pentanamide

Systemtic Name: 5-[[azanyl(nitramido)methylidene]amino]-2-(2-azanylpropanoylamino)-N-(4-nitrophenyl)pentanamide Openeye Name: 5-[[amino(nitramido)methylene]amino]-2-(2-aminopropanoylamino)-N-(4-nitrophenyl)pentanamide CAS Name: 5-[[amino(nitramido)methylidene]amino]-2-[(2-amino-1-oxopropyl)amino]-N-(4-nitrophenyl)pentanamide IUPAC Name: 5-[[amino(nitramido)methylidene]amino]-2-(2-aminopropanoylamino)-N-(4-nitrophenyl)pentanamide Traditional Name: 2-(alanylamino)-5-[[amino(nitramido)methylene]amino]-N-(4-nitrophenyl)valeramide Formula: C15H22N8O6 MolecularWeight: 410.38518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCCN=C(N)N[N+](=O)[O-])C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])N

Isomeric SMILES

CC(C(=O)NC(CCCN=C(N)N[N+](=O)[O-])C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])N

InChI

InChI=1S/C15H22N8O6/c1-9(16)13(24)20-12(3-2-8-18-15(17)21-23(28)29)14(25)19-10-4-6-11(7-5-10)22(26)27/h4-7,9,12H,2-3,8,16H2,1H3,(H,19,25)(H,20,24)(H3,17,18,21)