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

Systemtic Name: N-[4-methoxy-3-(phenylmethyl)phenyl]-4-nitro-3-oxidanyl-benzamide Openeye Name: N-(3-benzyl-4-methoxy-phenyl)-3-hydroxy-4-nitro-benzamide CAS Name: 3-hydroxy-N-[4-methoxy-3-(phenylmethyl)phenyl]-4-nitrobenzamide IUPAC Name: N-(3-benzyl-4-methoxyphenyl)-3-hydroxy-4-nitrobenzamide Traditional Name: N-(3-benzyl-4-methoxy-phenyl)-3-hydroxy-4-nitro-benzamide Formula: C21H18N2O5 MolecularWeight: 378.37802

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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-])O)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O5/c1-28-20-10-8-17(12-16(20)11-14-5-3-2-4-6-14)22-21(25)15-7-9-18(23(26)27)19(24)13-15/h2-10,12-13,24H,11H2,1H3,(H,22,25)