methyl 2-[[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-5-nitro-benzoate

Systemtic Name: methyl 2-[[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-5-nitro-benzoate Openeye Name: methyl 2-[[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-5-nitro-benzoate CAS Name: 2-[[(3,5-dimethoxyphenyl)-(1-methyl-2-imidazolyl)methyl]amino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-5-nitrobenzoate Traditional Name: 2-[[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-5-nitro-benzoic acid methyl ester Formula: C21H22N4O6 MolecularWeight: 426.42258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC(=CC(=C2)OC)OC)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN1C=CN=C1C(C2=CC(=CC(=C2)OC)OC)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H22N4O6/c1-24-8-7-22-20(24)19(13-9-15(29-2)12-16(10-13)30-3)23-18-6-5-14(25(27)28)11-17(18)21(26)31-4/h5-12,19,23H,1-4H3