N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-5-nitro-thiophene-3-carboxamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-5-nitro-thiophene-3-carboxamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-5-nitro-thiophene-3-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-nitro-3-thiophenecarboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-nitrothiophene-3-carboxamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-5-nitro-thiophene-3-carboxamide Formula: C14H12BrN3O4S MolecularWeight: 398.23178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=CSC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=CSC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H12BrN3O4S/c1-8-4-10(15)2-3-11(8)17-12(19)6-16-14(20)9-5-13(18(21)22)23-7-9/h2-5,7H,6H2,1H3,(H,16,20)(H,17,19)