N-(2-ethyl-6-methyl-phenyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-(2-ethyl-6-methylphenyl)-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C

InChI

InChI=1S/C18H18N2O5/c1-3-12-6-4-5-11(2)17(12)19-18(21)13-9-15-16(25-8-7-24-15)10-14(13)20(22)23/h4-6,9-10H,3,7-8H2,1-2H3,(H,19,21)