2,3-dinitrobenzoate; 2-methylbenzoate

Systemtic Name: 2,3-dinitrobenzoate; 2-methylbenzoate Openeye Name: 2,3-dinitrobenzoate; 2-methylbenzoate CAS Name: 2,3-dinitrobenzoate; 2-methylbenzoate IUPAC Name: 2,3-dinitrobenzoate; 2-methylbenzoate Traditional Name: 2,3-dinitrobenzoate; 2-methylbenzoate Formula: C15H10N2O8-2 MolecularWeight: 346.2485

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)[O-].C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)[O-].C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C8H8O2.C7H4N2O6/c1-6-4-2-3-5-7(6)8(9)10;10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h2-5H,1H3,(H,9,10);1-3H,(H,10,11)/p-2