methyl 2-[[2-(dimethylamino)pyridin-4-yl]methylamino]-5-nitro-benzoate

Systemtic Name: methyl 2-[[2-(dimethylamino)pyridin-4-yl]methylamino]-5-nitro-benzoate Openeye Name: methyl 2-[[2-(dimethylamino)-4-pyridyl]methylamino]-5-nitro-benzoate CAS Name: 2-[[2-(dimethylamino)-4-pyridinyl]methylamino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(dimethylamino)pyridin-4-yl]methylamino]-5-nitrobenzoate Traditional Name: 2-[[2-(dimethylamino)-4-pyridyl]methylamino]-5-nitro-benzoic acid methyl ester Formula: C16H18N4O4 MolecularWeight: 330.33852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=CC(=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN(C)C1=NC=CC(=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H18N4O4/c1-19(2)15-8-11(6-7-17-15)10-18-14-5-4-12(20(22)23)9-13(14)16(21)24-3/h4-9,18H,10H2,1-3H3