ethyl 6-[4-[5-[bis(azanyl)methylideneamino]-2-nitramido-pentanoyl]piperazin-1-yl]hexanoate

Systemtic Name: ethyl 6-[4-[5-[bis(azanyl)methylideneamino]-2-nitramido-pentanoyl]piperazin-1-yl]hexanoate Openeye Name: ethyl 6-[4-(5-guanidino-2-nitramido-pentanoyl)piperazin-1-yl]hexanoate CAS Name: 6-[4-[5-(diaminomethylideneamino)-2-nitramido-1-oxopentyl]-1-piperazinyl]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[4-[5-(diaminomethylideneamino)-2-nitramidopentanoyl]piperazin-1-yl]hexanoate Traditional Name: 6-[4-(5-guanidino-2-nitramido-pentanoyl)piperazino]hexanoic acid ethyl ester Formula: C18H35N7O5 MolecularWeight: 429.5144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCN1CCN(CC1)C(=O)C(CCCN=C(N)N)N[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCCCN1CCN(CC1)C(=O)C(CCCN=C(N)N)N[N+](=O)[O-]

InChI

InChI=1S/C18H35N7O5/c1-2-30-16(26)8-4-3-5-10-23-11-13-24(14-12-23)17(27)15(22-25(28)29)7-6-9-21-18(19)20/h15,22H,2-14H2,1H3,(H4,19,20,21)