(4-methylphenyl)-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone

Systemtic Name: (4-methylphenyl)-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone Openeye Name: (6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-(p-tolyl)methanone CAS Name: (4-methylphenyl)-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone IUPAC Name: (4-methylphenyl)-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone Traditional Name: (6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-(p-tolyl)methanone Formula: C16H13NO5 MolecularWeight: 299.27812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

InChI

InChI=1S/C16H13NO5/c1-10-2-4-11(5-3-10)16(18)12-8-14-15(22-7-6-21-14)9-13(12)17(19)20/h2-5,8-9H,6-7H2,1H3