(E)-1-(azepan-1-yl)-2-nitroso-3-(oxidanylamino)but-2-en-1-one

Systemtic Name: (E)-1-(azepan-1-yl)-2-nitroso-3-(oxidanylamino)but-2-en-1-one Openeye Name: (E)-1-(azepan-1-yl)-3-(hydroxyamino)-2-nitroso-but-2-en-1-one CAS Name: (E)-1-(1-azepanyl)-3-(hydroxyamino)-2-nitroso-2-buten-1-one IUPAC Name: (E)-1-(azepan-1-yl)-3-(hydroxyamino)-2-nitrosobut-2-en-1-one Traditional Name: (E)-1-(azepan-1-yl)-3-(hydroxyamino)-2-nitroso-but-2-en-1-one Formula: C10H17N3O3 MolecularWeight: 227.26028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)N1CCCCCC1)N=O)NO

Isomeric SMILES

C/C(=C(/C(=O)N1CCCCCC1)\N=O)/NO

InChI

InChI=1S/C10H17N3O3/c1-8(11-15)9(12-16)10(14)13-6-4-2-3-5-7-13/h11,15H,2-7H2,1H3/b9-8+