1-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-2,4-dinitro-benzene hydrate

Systemtic Name: 1-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-2,4-dinitro-benzene hydrate Openeye Name: 1-[(E)-2-(2,4-dimethoxyphenyl)vinyl]-2,4-dinitro-benzene hydrate CAS Name: 1-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-2,4-dinitrobenzene hydrate IUPAC Name: 1-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-2,4-dinitrobenzene hydrate Traditional Name: 1-[(E)-2-(2,4-dimethoxyphenyl)vinyl]-2,4-dinitro-benzene hydrate Formula: C16H16N2O7 MolecularWeight: 348.30744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC.O

Isomeric SMILES

COC1=CC(=C(C=C1)/C=C/C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC.O

InChI

InChI=1S/C16H14N2O6.H2O/c1-23-14-8-6-12(16(10-14)24-2)4-3-11-5-7-13(17(19)20)9-15(11)18(21)22;/h3-10H,1-2H3;1H2/b4-3+;