ethyl 5-[(E)-2-(dimethylamino)ethenyl]-2,4-dinitro-benzoate

Systemtic Name: ethyl 5-[(E)-2-(dimethylamino)ethenyl]-2,4-dinitro-benzoate Openeye Name: ethyl 5-[(E)-2-(dimethylamino)vinyl]-2,4-dinitro-benzoate CAS Name: 5-[(E)-2-(dimethylamino)ethenyl]-2,4-dinitrobenzoic acid ethyl ester IUPAC Name: ethyl 5-[(E)-2-(dimethylamino)ethenyl]-2,4-dinitrobenzoate Traditional Name: 5-[(E)-2-(dimethylamino)vinyl]-2,4-dinitro-benzoic acid ethyl ester Formula: C13H15N3O6 MolecularWeight: 309.2747

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C(=C1)C=CN(C)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C=C(C(=C1)/C=C/N(C)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O6/c1-4-22-13(17)10-7-9(5-6-14(2)3)11(15(18)19)8-12(10)16(20)21/h5-8H,4H2,1-3H3/b6-5+