2-methoxy-4-methyl-1,3,5-trinitro-benzene

Systemtic Name: 2-methoxy-4-methyl-1,3,5-trinitro-benzene Openeye Name: 2-methoxy-4-methyl-1,3,5-trinitro-benzene CAS Name: 2-methoxy-4-methyl-1,3,5-trinitrobenzene IUPAC Name: 2-methoxy-4-methyl-1,3,5-trinitrobenzene Traditional Name: 2-methoxy-4-methyl-1,3,5-trinitro-benzene Formula: C8H7N3O7 MolecularWeight: 257.15708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC)[N+](=O)[O-]

InChI

InChI=1S/C8H7N3O7/c1-4-5(9(12)13)3-6(10(14)15)8(18-2)7(4)11(16)17/h3H,1-2H3