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

Systemtic Name: ethyl 5-[4-[5-[bis(azanyl)methylideneamino]-2-nitramido-pentanoyl]piperazin-1-yl]pentanoate Openeye Name: ethyl 5-[4-(5-guanidino-2-nitramido-pentanoyl)piperazin-1-yl]pentanoate CAS Name: 5-[4-[5-(diaminomethylideneamino)-2-nitramido-1-oxopentyl]-1-piperazinyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[4-[5-(diaminomethylideneamino)-2-nitramidopentanoyl]piperazin-1-yl]pentanoate Traditional Name: 5-[4-(5-guanidino-2-nitramido-pentanoyl)piperazino]valeric acid ethyl ester Formula: C17H33N7O5 MolecularWeight: 415.48782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCN1CCN(CC1)C(=O)C(CCCN=C(N)N)N[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCCN1CCN(CC1)C(=O)C(CCCN=C(N)N)N[N+](=O)[O-]

InChI

InChI=1S/C17H33N7O5/c1-2-29-15(25)7-3-4-9-22-10-12-23(13-11-22)16(26)14(21-24(27)28)6-5-8-20-17(18)19/h14,21H,2-13H2,1H3,(H4,18,19,20)