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

Systemtic Name: ethyl 5-[1-[5-[bis(azanyl)methylideneamino]-2-nitramido-pentanoyl]piperidin-4-yl]pentanoate Openeye Name: ethyl 5-[1-(5-guanidino-2-nitramido-pentanoyl)-4-piperidyl]pentanoate CAS Name: 5-[1-[5-(diaminomethylideneamino)-2-nitramido-1-oxopentyl]-4-piperidinyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[1-[5-(diaminomethylideneamino)-2-nitramidopentanoyl]piperidin-4-yl]pentanoate Traditional Name: 5-[1-(5-guanidino-2-nitramido-pentanoyl)-4-piperidyl]valeric acid ethyl ester Formula: C18H34N6O5 MolecularWeight: 414.49976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC1CCN(CC1)C(=O)C(CCCN=C(N)N)N[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCCC1CCN(CC1)C(=O)C(CCCN=C(N)N)N[N+](=O)[O-]

InChI

InChI=1S/C18H34N6O5/c1-2-29-16(25)8-4-3-6-14-9-12-23(13-10-14)17(26)15(22-24(27)28)7-5-11-21-18(19)20/h14-15,22H,2-13H2,1H3,(H4,19,20,21)