5-chloranyl-N-[4-methoxy-3-(phenylmethyl)phenyl]-2-nitro-benzamide

Systemtic Name: 5-chloranyl-N-[4-methoxy-3-(phenylmethyl)phenyl]-2-nitro-benzamide Openeye Name: N-(3-benzyl-4-methoxy-phenyl)-5-chloro-2-nitro-benzamide CAS Name: 5-chloro-N-[4-methoxy-3-(phenylmethyl)phenyl]-2-nitrobenzamide IUPAC Name: N-(3-benzyl-4-methoxyphenyl)-5-chloro-2-nitrobenzamide Traditional Name: N-(3-benzyl-4-methoxy-phenyl)-5-chloro-2-nitro-benzamide Formula: C21H17ClN2O4 MolecularWeight: 396.82368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C21H17ClN2O4/c1-28-20-10-8-17(12-15(20)11-14-5-3-2-4-6-14)23-21(25)18-13-16(22)7-9-19(18)24(26)27/h2-10,12-13H,11H2,1H3,(H,23,25)