ethyl 4-[4-[5-[bis(azanyl)methylideneamino]-2-nitramido-pentanoyl]piperazin-1-yl]butanoate

Systemtic Name: ethyl 4-[4-[5-[bis(azanyl)methylideneamino]-2-nitramido-pentanoyl]piperazin-1-yl]butanoate Openeye Name: ethyl 4-[4-(5-guanidino-2-nitramido-pentanoyl)piperazin-1-yl]butanoate CAS Name: 4-[4-[5-(diaminomethylideneamino)-2-nitramido-1-oxopentyl]-1-piperazinyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[5-(diaminomethylideneamino)-2-nitramidopentanoyl]piperazin-1-yl]butanoate Traditional Name: 4-[4-(5-guanidino-2-nitramido-pentanoyl)piperazino]butyric acid ethyl ester Formula: C16H31N7O5 MolecularWeight: 401.46124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1CCN(CC1)C(=O)C(CCCN=C(N)N)N[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCN1CCN(CC1)C(=O)C(CCCN=C(N)N)N[N+](=O)[O-]

InChI

InChI=1S/C16H31N7O5/c1-2-28-14(24)6-4-8-21-9-11-22(12-10-21)15(25)13(20-23(26)27)5-3-7-19-16(17)18/h13,20H,2-12H2,1H3,(H4,17,18,19)