1-ethanimidoyl-N-nitro-4-sulfanyl-pyrrolidine-2-carboxamide; 3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one

Systemtic Name: 1-ethanimidoyl-N-nitro-4-sulfanyl-pyrrolidine-2-carboxamide; 3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one Openeye Name: 1-ethanimidoyl-N-nitro-4-sulfanyl-pyrrolidine-2-carboxamide; 3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one CAS Name: 1-(1-iminoethyl)-4-mercapto-N-nitro-2-pyrrolidinecarboxamide; 3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one IUPAC Name: 1-ethanimidoyl-N-nitro-4-sulfanylpyrrolidine-2-carboxamide; 3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one Traditional Name: 1-acetimidoyl-4-mercapto-N-nitro-pyrrolidine-2-carboxamide; 3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one Formula: C15H18N4O5S MolecularWeight: 366.39222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CC(CC1C(=O)N[N+](=O)[O-])S.C1C2=CC=C(C=C2)C(=O)O1

Isomeric SMILES

CC(=N)N1CC(CC1C(=O)N[N+](=O)[O-])S.C1C2=CC=C(C=C2)C(=O)O1

InChI

InChI=1S/C8H6O2.C7H12N4O3S/c9-8-7-3-1-6(2-4-7)5-10-8;1-4(8)10-3-5(15)2-6(10)7(12)9-11(13)14/h1-4H,5H2;5-6,8,15H,2-3H2,1H3,(H,9,12)