2-azanyl-5-[bis(azanyl)methylideneamino]-N-(4-nitrophenyl)pentanamide; ethanoic acid

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]-N-(4-nitrophenyl)pentanamide; ethanoic acid Openeye Name: acetic acid; 2-amino-5-guanidino-N-(4-nitrophenyl)pentanamide CAS Name: acetic acid; 2-amino-5-(diaminomethylideneamino)-N-(4-nitrophenyl)pentanamide IUPAC Name: acetic acid; 2-amino-5-(diaminomethylideneamino)-N-(4-nitrophenyl)pentanamide Traditional Name: acetic acid; 2-amino-5-guanidino-N-(4-nitrophenyl)valeramide Formula: C14H22N6O5 MolecularWeight: 354.36168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N6O3.C2H4O2/c13-10(2-1-7-16-12(14)15)11(19)17-8-3-5-9(6-4-8)18(20)21;1-2(3)4/h3-6,10H,1-2,7,13H2,(H,17,19)(H4,14,15,16);1H3,(H,3,4)