(2-benzamido-2-oxidanylidene-ethyl) 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid (2-benzamido-2-keto-ethyl) ester Formula: C18H12N2O6S MolecularWeight: 384.36268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H12N2O6S/c21-16(19-17(22)11-4-2-1-3-5-11)10-26-18(23)15-9-12-8-13(20(24)25)6-7-14(12)27-15/h1-9H,10H2,(H,19,21,22)