[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 3-nitrobenzoate Openeye Name: [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(4,6-dimethyl-2-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 3-nitrobenzoate Traditional Name: 3-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/c1-12-10-13(2)21-19(20-12)22-15-6-8-17(9-7-15)27-18(24)14-4-3-5-16(11-14)23(25)26/h3-11H,1-2H3,(H,20,21,22)