2-(2-nitrooxyethyldisulfanyl)ethyl N-(phthalazin-1-ylamino)carbamate

Systemtic Name: 2-(2-nitrooxyethyldisulfanyl)ethyl N-(phthalazin-1-ylamino)carbamate Openeye Name: 2-(2-nitrooxyethyldisulfanyl)ethyl N-(phthalazin-1-ylamino)carbamate CAS Name: N-(1-phthalazinylamino)carbamic acid 2-(2-nitrooxyethyldisulfanyl)ethyl ester IUPAC Name: 2-(2-nitrooxyethyldisulfanyl)ethyl N-(phthalazin-1-ylamino)carbamate Traditional Name: N-(phthalazin-1-ylamino)carbamic acid 2-(2-nitrooxyethyldisulfanyl)ethyl ester Formula: C13H15N5O5S2 MolecularWeight: 385.4187

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN=C2NNC(=O)OCCSSCCO[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=NN=C2NNC(=O)OCCSSCCO[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O5S2/c19-13(22-5-7-24-25-8-6-23-18(20)21)17-16-12-11-4-2-1-3-10(11)9-14-15-12/h1-4,9H,5-8H2,(H,15,16)(H,17,19)