4-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-(2-methoxy-5-nitro-anilino)ethyl]thio]-3-nitro-benzamide Formula: C16H14N4O7S MolecularWeight: 406.36996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O7S/c1-27-13-4-3-10(19(23)24)7-11(13)18-15(21)8-28-14-5-2-9(16(17)22)6-12(14)20(25)26/h2-7H,8H2,1H3,(H2,17,22)(H,18,21)