2-methoxyaniline; 1,3,5-trinitrobenzene

Systemtic Name: 2-methoxyaniline; 1,3,5-trinitrobenzene Openeye Name: 2-methoxyaniline; 1,3,5-trinitrobenzene CAS Name: 2-methoxyaniline; 1,3,5-trinitrobenzene IUPAC Name: 2-methoxyaniline; 1,3,5-trinitrobenzene Traditional Name: o-anisidine; 1,3,5-trinitrobenzene Formula: C13H12N4O7 MolecularWeight: 336.25698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H9NO.C6H3N3O6/c1-9-7-5-3-2-4-6(7)8;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h2-5H,8H2,1H3;1-3H