[2,4-dinitro-6-(1-oxidanylideneoctan-2-yl)phenyl] (E)-but-2-enoate

Systemtic Name: [2,4-dinitro-6-(1-oxidanylideneoctan-2-yl)phenyl] (E)-but-2-enoate Openeye Name: [2-(1-formylheptyl)-4,6-dinitro-phenyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [2,4-dinitro-6-(1-oxooctan-2-yl)phenyl] ester IUPAC Name: [2,4-dinitro-6-(1-oxooctan-2-yl)phenyl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-(1-formylheptyl)-4,6-dinitro-phenyl] ester Formula: C18H22N2O7 MolecularWeight: 378.37648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C=O)C1=CC(=CC(=C1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C=O)C1=CC(=CC(=C1OC(=O)/C=C/C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O7/c1-3-5-6-7-9-13(12-21)15-10-14(19(23)24)11-16(20(25)26)18(15)27-17(22)8-4-2/h4,8,10-13H,3,5-7,9H2,1-2H3/b8-4+