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

Systemtic Name: N-[4-methoxy-3-(phenylmethyl)phenyl]-4-nitro-benzamide Openeye Name: N-(3-benzyl-4-methoxy-phenyl)-4-nitro-benzamide CAS Name: N-[4-methoxy-3-(phenylmethyl)phenyl]-4-nitrobenzamide IUPAC Name: N-(3-benzyl-4-methoxyphenyl)-4-nitrobenzamide Traditional Name: N-(3-benzyl-4-methoxy-phenyl)-4-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=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

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

InChI

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