3-phenylpropanoyl 5-[bis(azanyl)methylideneamino]-2-nitramido-pentanoate

Systemtic Name: 3-phenylpropanoyl 5-[bis(azanyl)methylideneamino]-2-nitramido-pentanoate Openeye Name: 3-phenylpropanoyl 5-guanidino-2-nitramido-pentanoate CAS Name: 5-(diaminomethylideneamino)-2-nitramidopentanoic acid (1-oxo-3-phenylpropyl) ester IUPAC Name: 3-phenylpropanoyl 5-(diaminomethylideneamino)-2-nitramidopentanoate Traditional Name: 5-guanidino-2-nitramido-valeric acid hydrocinnamoyl ester Formula: C15H21N5O5 MolecularWeight: 351.35774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N5O5/c16-15(17)18-10-4-7-12(19-20(23)24)14(22)25-13(21)9-8-11-5-2-1-3-6-11/h1-3,5-6,12,19H,4,7-10H2,(H4,16,17,18)