4-[2-[(4-acetamido-3-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(4-acetamido-3-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(4-acetamido-3-chloro-anilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(4-acetamido-3-chloroanilino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(4-acetamido-3-chloroanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(4-acetamido-3-chloro-anilino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C17H15ClN4O5S MolecularWeight: 422.8428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H15ClN4O5S/c1-9(23)20-13-4-3-11(7-12(13)18)21-16(24)8-28-15-5-2-10(17(19)25)6-14(15)22(26)27/h2-7H,8H2,1H3,(H2,19,25)(H,20,23)(H,21,24)