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methyl 4-[(E)-2-(dimethylamino)ethenyl]-3,5-dinitro-benzoate

methyl 4-[(E)-2-(dimethylamino)ethenyl]-3,5-dinitro-benzoate

Systemtic Name:methyl 4-[(E)-2-(dimethylamino)ethenyl]-3,5-dinitro-benzoate
Openeye Name:methyl 4-[(E)-2-(dimethylamino)vinyl]-3,5-dinitro-benzoate
CAS Name:4-[(E)-2-(dimethylamino)ethenyl]-3,5-dinitrobenzoic acid methyl ester
IUPAC Name:methyl 4-[(E)-2-(dimethylamino)ethenyl]-3,5-dinitrobenzoate
Traditional Name:4-[(E)-2-(dimethylamino)vinyl]-3,5-dinitro-benzoic acid methyl ester
Formula: C12H13N3O6
MolecularWeight: 295.24812
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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC)[N+](=O)[O-]


Isomeric SMILES

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


InChI

InChI=1S/C12H13N3O6/c1-13(2)5-4-9-10(14(17)18)6-8(12(16)21-3)7-11(9)15(19)20/h4-7H,1-3H3/b5-4+


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