1-methyl-2,3-dinitro-benzene; 1-methyl-3,5-dinitro-benzene; 2-methyl-1,3-dinitro-benzene

Systemtic Name: 1-methyl-2,3-dinitro-benzene; 1-methyl-3,5-dinitro-benzene; 2-methyl-1,3-dinitro-benzene Openeye Name: 1-methyl-2,3-dinitro-benzene; 1-methyl-3,5-dinitro-benzene; 2-methyl-1,3-dinitro-benzene CAS Name: 1-methyl-2,3-dinitrobenzene; 1-methyl-3,5-dinitrobenzene; 2-methyl-1,3-dinitrobenzene IUPAC Name: 1-methyl-2,3-dinitrobenzene; 1-methyl-3,5-dinitrobenzene; 2-methyl-1,3-dinitrobenzene Traditional Name: 1-methyl-2,3-dinitro-benzene; 1-methyl-3,5-dinitro-benzene; 2-methyl-1,3-dinitro-benzene Formula: C21H18N6O12 MolecularWeight: 546.40062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C7H6N2O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13;1-5-6(8(10)11)3-2-4-7(5)9(12)13;1-5-3-2-4-6(8(10)11)7(5)9(12)13/h3*2-4H,1H3