4-(2,4-dinitrophenoxy)-3-iodanyl-2-methyl-1-nitro-5-propan-2-yl-benzene

Systemtic Name: 4-(2,4-dinitrophenoxy)-3-iodanyl-2-methyl-1-nitro-5-propan-2-yl-benzene Openeye Name: 2-(2,4-dinitrophenoxy)-3-iodo-1-isopropyl-4-methyl-5-nitro-benzene CAS Name: 4-(2,4-dinitrophenoxy)-3-iodo-2-methyl-1-nitro-5-propan-2-ylbenzene IUPAC Name: 4-(2,4-dinitrophenoxy)-3-iodo-2-methyl-1-nitro-5-propan-2-ylbenzene Traditional Name: 2-(2,4-dinitrophenoxy)-3-iodo-1-isopropyl-4-methyl-5-nitro-benzene Formula: C16H14IN3O7 MolecularWeight: 487.20273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1I)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C(=C1I)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H14IN3O7/c1-8(2)11-7-12(19(23)24)9(3)15(17)16(11)27-14-5-4-10(18(21)22)6-13(14)20(25)26/h4-8H,1-3H3