1-(5-azanyl-4-nitro-thiophen-2-yl)-3-methyl-butan-1-one

Systemtic Name: 1-(5-azanyl-4-nitro-thiophen-2-yl)-3-methyl-butan-1-one Openeye Name: 1-(5-amino-4-nitro-2-thienyl)-3-methyl-butan-1-one CAS Name: 1-(5-amino-4-nitro-2-thiophenyl)-3-methyl-1-butanone IUPAC Name: 1-(5-amino-4-nitrothiophen-2-yl)-3-methylbutan-1-one Traditional Name: 1-(5-amino-4-nitro-2-thienyl)-3-methyl-butan-1-one Formula: C9H12N2O3S MolecularWeight: 228.26818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=CC(=C(S1)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(=O)C1=CC(=C(S1)N)[N+](=O)[O-]

InChI

InChI=1S/C9H12N2O3S/c1-5(2)3-7(12)8-4-6(11(13)14)9(10)15-8/h4-5H,3,10H2,1-2H3