N-[2-(4-chloranyl-2-nitro-phenyl)sulfanylphenyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[2-(4-chloranyl-2-nitro-phenyl)sulfanylphenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-(4-chloro-2-nitro-phenyl)sulfanylphenyl]-3,4-dimethoxy-benzamide CAS Name: N-[2-[(4-chloro-2-nitrophenyl)thio]phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-(4-chloro-2-nitrophenyl)sulfanylphenyl]-3,4-dimethoxybenzamide Traditional Name: N-[2-[(4-chloro-2-nitro-phenyl)thio]phenyl]-3,4-dimethoxy-benzamide Formula: C21H17ClN2O5S MolecularWeight: 444.88808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2SC3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2SC3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C21H17ClN2O5S/c1-28-17-9-7-13(11-18(17)29-2)21(25)23-15-5-3-4-6-19(15)30-20-10-8-14(22)12-16(20)24(26)27/h3-12H,1-2H3,(H,23,25)