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

Systemtic Name: N-[4-methoxy-3-(phenylmethyl)phenyl]-3-nitro-benzamide Openeye Name: N-(3-benzyl-4-methoxy-phenyl)-3-nitro-benzamide CAS Name: N-[4-methoxy-3-(phenylmethyl)phenyl]-3-nitrobenzamide IUPAC Name: N-(3-benzyl-4-methoxyphenyl)-3-nitrobenzamide Traditional Name: N-(3-benzyl-4-methoxy-phenyl)-3-nitro-benzamide Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4/c1-27-20-11-10-18(13-17(20)12-15-6-3-2-4-7-15)22-21(24)16-8-5-9-19(14-16)23(25)26/h2-11,13-14H,12H2,1H3,(H,22,24)