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

Systemtic Name: [4-(2-methylphenyl)piperazin-1-yl]-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone Openeye Name: (6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(o-tolyl)piperazin-1-yl]methanone CAS Name: [4-(2-methylphenyl)-1-piperazinyl]-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone IUPAC Name: [4-(2-methylphenyl)piperazin-1-yl]-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone Traditional Name: (6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(o-tolyl)piperazino]methanone Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

InChI

InChI=1S/C20H21N3O5/c1-14-4-2-3-5-16(14)21-6-8-22(9-7-21)20(24)15-12-18-19(28-11-10-27-18)13-17(15)23(25)26/h2-5,12-13H,6-11H2,1H3