methyl 5-[[(4-methyl-3-nitro-pyridin-2-yl)amino]methyl]-2-phenyl-benzoate

Systemtic Name: methyl 5-[[(4-methyl-3-nitro-pyridin-2-yl)amino]methyl]-2-phenyl-benzoate Openeye Name: methyl 5-[[(4-methyl-3-nitro-2-pyridyl)amino]methyl]-2-phenyl-benzoate CAS Name: 5-[[(4-methyl-3-nitro-2-pyridinyl)amino]methyl]-2-phenylbenzoic acid methyl ester IUPAC Name: methyl 5-[[(4-methyl-3-nitropyridin-2-yl)amino]methyl]-2-phenylbenzoate Traditional Name: 5-[[(4-methyl-3-nitro-2-pyridyl)amino]methyl]-2-phenyl-benzoic acid methyl ester Formula: C21H19N3O4 MolecularWeight: 377.39326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1)NCC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC=C1)NCC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O4/c1-14-10-11-22-20(19(14)24(26)27)23-13-15-8-9-17(16-6-4-3-5-7-16)18(12-15)21(25)28-2/h3-12H,13H2,1-2H3,(H,22,23)