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

Systemtic Name: ethyl 7-[4-[5-[bis(azanyl)methylideneamino]-2-nitramido-pentanoyl]piperazin-1-yl]heptanoate Openeye Name: ethyl 7-[4-(5-guanidino-2-nitramido-pentanoyl)piperazin-1-yl]heptanoate CAS Name: 7-[4-[5-(diaminomethylideneamino)-2-nitramido-1-oxopentyl]-1-piperazinyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[4-[5-(diaminomethylideneamino)-2-nitramidopentanoyl]piperazin-1-yl]heptanoate Traditional Name: 7-[4-(5-guanidino-2-nitramido-pentanoyl)piperazino]enanthic acid ethyl ester Formula: C19H37N7O5 MolecularWeight: 443.54098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCN1CCN(CC1)C(=O)C(CCCN=C(N)N)N[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCCCCN1CCN(CC1)C(=O)C(CCCN=C(N)N)N[N+](=O)[O-]

InChI

InChI=1S/C19H37N7O5/c1-2-31-17(27)9-5-3-4-6-11-24-12-14-25(15-13-24)18(28)16(23-26(29)30)8-7-10-22-19(20)21/h16,23H,2-15H2,1H3,(H4,20,21,22)