(Z)-3-(4-methylphenyl)-4-[3-nitro-4,5-bis(oxidanyl)phenyl]but-3-en-2-one

Systemtic Name: (Z)-3-(4-methylphenyl)-4-[3-nitro-4,5-bis(oxidanyl)phenyl]but-3-en-2-one Openeye Name: (Z)-4-(3,4-dihydroxy-5-nitro-phenyl)-3-(p-tolyl)but-3-en-2-one CAS Name: (Z)-4-(3,4-dihydroxy-5-nitrophenyl)-3-(4-methylphenyl)-3-buten-2-one IUPAC Name: (Z)-4-(3,4-dihydroxy-5-nitrophenyl)-3-(4-methylphenyl)but-3-en-2-one Traditional Name: (Z)-4-(3,4-dihydroxy-5-nitro-phenyl)-3-(p-tolyl)but-3-en-2-one Formula: C17H15NO5 MolecularWeight: 313.3047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO5/c1-10-3-5-13(6-4-10)14(11(2)19)7-12-8-15(18(22)23)17(21)16(20)9-12/h3-9,20-21H,1-2H3/b14-7+