(6-cyclopropyl-3-methoxy-2,6-dinitro-cyclohexa-2,4-dien-1-yl) ethanoate

Systemtic Name: (6-cyclopropyl-3-methoxy-2,6-dinitro-cyclohexa-2,4-dien-1-yl) ethanoate Openeye Name: (6-cyclopropyl-3-methoxy-2,6-dinitro-cyclohexa-2,4-dien-1-yl) acetate CAS Name: acetic acid (6-cyclopropyl-3-methoxy-2,6-dinitro-1-cyclohexa-2,4-dienyl) ester IUPAC Name: (6-cyclopropyl-3-methoxy-2,6-dinitrocyclohexa-2,4-dien-1-yl) acetate Traditional Name: acetic acid (6-cyclopropyl-3-methoxy-2,6-dinitro-cyclohexa-2,4-dien-1-yl) ester Formula: C12H14N2O7 MolecularWeight: 298.24876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(=C(C=CC1(C2CC2)[N+](=O)[O-])OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1C(=C(C=CC1(C2CC2)[N+](=O)[O-])OC)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O7/c1-7(15)21-11-10(13(16)17)9(20-2)5-6-12(11,14(18)19)8-3-4-8/h5-6,8,11H,3-4H2,1-2H3