N-[2,6-di(propan-2-yl)phenyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-(2,6-diisopropylphenyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-(2,6-diisopropylphenyl)-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5/c1-12(2)14-6-5-7-15(13(3)4)20(14)22-21(24)16-10-18-19(28-9-8-27-18)11-17(16)23(25)26/h5-7,10-13H,8-9H2,1-4H3,(H,22,24)