(E)-3-(3-methylphenyl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-methylphenyl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one Openeye Name: (E)-3-(m-tolyl)-1-(5-nitro-2-furyl)prop-2-en-1-one CAS Name: (E)-3-(3-methylphenyl)-1-(5-nitro-2-furanyl)-2-propen-1-one IUPAC Name: (E)-3-(3-methylphenyl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one Traditional Name: (E)-3-(m-tolyl)-1-(5-nitro-2-furyl)prop-2-en-1-one Formula: C14H11NO4 MolecularWeight: 257.24144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC(=O)C2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/C(=O)C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C14H11NO4/c1-10-3-2-4-11(9-10)5-6-12(16)13-7-8-14(19-13)15(17)18/h2-9H,1H3/b6-5+