[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 2-nitrobenzoate

Systemtic Name: [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 2-nitrobenzoate Openeye Name: [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [4-[(4,6-dimethyl-2-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] ester Formula: C19H16N4O4 MolecularWeight: 364.35474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C19H16N4O4/c1-12-11-13(2)21-19(20-12)22-14-7-9-15(10-8-14)27-18(24)16-5-3-4-6-17(16)23(25)26/h3-11H,1-2H3,(H,20,21,22)