[4-[4-(hydroxymethyl)-2-methoxy-phenoxy]-3-nitro-phenyl]-phenyl-methanone

Systemtic Name: [4-[4-(hydroxymethyl)-2-methoxy-phenoxy]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[4-(hydroxymethyl)-2-methoxy-phenoxy]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-(2-methoxy-4-methylol-phenoxy)-3-nitro-phenyl]-phenyl-methanone Formula: C21H17NO6 MolecularWeight: 379.36278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CO)OC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)CO)OC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17NO6/c1-27-20-11-14(13-23)7-9-19(20)28-18-10-8-16(12-17(18)22(25)26)21(24)15-5-3-2-4-6-15/h2-12,23H,13H2,1H3