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

Systemtic Name: methyl 4-[(E)-2-(dimethylamino)ethenyl]-3-nitro-benzoate Openeye Name: methyl 4-[(E)-2-(dimethylamino)vinyl]-3-nitro-benzoate CAS Name: 4-[(E)-2-(dimethylamino)ethenyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-(dimethylamino)ethenyl]-3-nitrobenzoate Traditional Name: 4-[(E)-2-(dimethylamino)vinyl]-3-nitro-benzoic acid methyl ester Formula: C12H14N2O4 MolecularWeight: 250.25056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O4/c1-13(2)7-6-9-4-5-10(12(15)18-3)8-11(9)14(16)17/h4-8H,1-3H3/b7-6+