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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1)NCC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC=C1)NCC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

InChI

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