N-(3-azanyl-2-nitro-phenyl)ethanamide; 2-thiabicyclo[2.1.1]hexa-1(6),3-dien-5-one

Systemtic Name: N-(3-azanyl-2-nitro-phenyl)ethanamide; 2-thiabicyclo[2.1.1]hexa-1(6),3-dien-5-one Openeye Name: N-(3-amino-2-nitro-phenyl)acetamide; 2-thiabicyclo[2.1.1]hexa-1(6),3-dien-5-one CAS Name: N-(3-amino-2-nitrophenyl)acetamide; 2-thiabicyclo[2.1.1]hexa-1(6),3-dien-5-one IUPAC Name: N-(3-amino-2-nitrophenyl)acetamide; 2-thiabicyclo[2.1.1]hexa-1(6),3-dien-5-one Traditional Name: N-(3-amino-2-nitro-phenyl)acetamide; 2-thiabicyclo[2.1.1]hexa-1(6),3-dien-5-one Formula: C13H11N3O4S MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1[N+](=O)[O-])N.C1=C2C(=O)C1=CS2

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1[N+](=O)[O-])N.C1=C2C(=O)C1=CS2

InChI

InChI=1S/C8H9N3O3.C5H2OS/c1-5(12)10-7-4-2-3-6(9)8(7)11(13)14;6-5-3-1-4(5)7-2-3/h2-4H,9H2,1H3,(H,10,12);1-2H