4-methyl-1,3-dinitro-2-[(E)-2-nitroethenyl]-5-propan-2-yl-benzene

Systemtic Name: 4-methyl-1,3-dinitro-2-[(E)-2-nitroethenyl]-5-propan-2-yl-benzene Openeye Name: 1-isopropyl-2-methyl-3,5-dinitro-4-[(E)-2-nitrovinyl]benzene CAS Name: 4-methyl-1,3-dinitro-2-[(E)-2-nitroethenyl]-5-propan-2-ylbenzene IUPAC Name: 4-methyl-1,3-dinitro-2-[(E)-2-nitroethenyl]-5-propan-2-ylbenzene Traditional Name: 1-isopropyl-2-methyl-3,5-dinitro-4-[(E)-2-nitrovinyl]benzene Formula: C12H13N3O6 MolecularWeight: 295.24812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(C)C)[N+](=O)[O-])C=C[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1C(C)C)[N+](=O)[O-])/C=C/[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O6/c1-7(2)10-6-11(14(18)19)9(4-5-13(16)17)12(8(10)3)15(20)21/h4-7H,1-3H3/b5-4+