methyl 5-bromanyl-4-[(E)-2-(dimethylamino)ethenyl]-2-methoxy-3-nitro-benzoate

Systemtic Name: methyl 5-bromanyl-4-[(E)-2-(dimethylamino)ethenyl]-2-methoxy-3-nitro-benzoate Openeye Name: methyl 5-bromo-4-[(E)-2-(dimethylamino)vinyl]-2-methoxy-3-nitro-benzoate CAS Name: 5-bromo-4-[(E)-2-(dimethylamino)ethenyl]-2-methoxy-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 5-bromo-4-[(E)-2-(dimethylamino)ethenyl]-2-methoxy-3-nitrobenzoate Traditional Name: 5-bromo-4-[(E)-2-(dimethylamino)vinyl]-2-methoxy-3-nitro-benzoic acid methyl ester Formula: C13H15BrN2O5 MolecularWeight: 359.1726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrN2O5/c1-15(2)6-5-8-10(14)7-9(13(17)21-4)12(20-3)11(8)16(18)19/h5-7H,1-4H3/b6-5+