ethyl 7-[1-[5-[bis(azanyl)methylideneamino]-2-nitramido-pentanoyl]piperidin-4-yl]heptanoate

Systemtic Name: ethyl 7-[1-[5-[bis(azanyl)methylideneamino]-2-nitramido-pentanoyl]piperidin-4-yl]heptanoate Openeye Name: ethyl 7-[1-(5-guanidino-2-nitramido-pentanoyl)-4-piperidyl]heptanoate CAS Name: 7-[1-[5-(diaminomethylideneamino)-2-nitramido-1-oxopentyl]-4-piperidinyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[1-[5-(diaminomethylideneamino)-2-nitramidopentanoyl]piperidin-4-yl]heptanoate Traditional Name: 7-[1-(5-guanidino-2-nitramido-pentanoyl)-4-piperidyl]enanthic acid ethyl ester Formula: C20H38N6O5 MolecularWeight: 442.55292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCC1CCN(CC1)C(=O)C(CCCN=C(N)N)N[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCCCCC1CCN(CC1)C(=O)C(CCCN=C(N)N)N[N+](=O)[O-]

InChI

InChI=1S/C20H38N6O5/c1-2-31-18(27)10-6-4-3-5-8-16-11-14-25(15-12-16)19(28)17(24-26(29)30)9-7-13-23-20(21)22/h16-17,24H,2-15H2,1H3,(H4,21,22,23)