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

Systemtic Name: N-[4-methoxy-3-(phenylmethyl)phenyl]-2-nitro-benzamide Openeye Name: N-(3-benzyl-4-methoxy-phenyl)-2-nitro-benzamide CAS Name: N-[4-methoxy-3-(phenylmethyl)phenyl]-2-nitrobenzamide IUPAC Name: N-(3-benzyl-4-methoxyphenyl)-2-nitrobenzamide Traditional Name: N-(3-benzyl-4-methoxy-phenyl)-2-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/c1-27-20-12-11-17(14-16(20)13-15-7-3-2-4-8-15)22-21(24)18-9-5-6-10-19(18)23(25)26/h2-12,14H,13H2,1H3,(H,22,24)