1-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-3-(4-methylphenyl)propan-2-one

Systemtic Name: 1-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-3-(4-methylphenyl)propan-2-one Openeye Name: 1-(4-hydroxy-3-methoxy-5-nitro-phenyl)-3-(p-tolyl)propan-2-one CAS Name: 1-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)-2-propanone IUPAC Name: 1-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)propan-2-one Traditional Name: 1-(4-hydroxy-3-methoxy-5-nitro-phenyl)-3-(p-tolyl)acetone Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(=O)CC2=CC(=C(C(=C2)OC)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CC(=O)CC2=CC(=C(C(=C2)OC)O)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO5/c1-11-3-5-12(6-4-11)7-14(19)8-13-9-15(18(21)22)17(20)16(10-13)23-2/h3-6,9-10,20H,7-8H2,1-2H3