[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [3-[(4,6-dimethyl-2-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] ester Formula: C19H15ClN4O4 MolecularWeight: 398.7998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN4O4/c1-11-8-12(2)22-19(21-11)23-14-4-3-5-15(10-14)28-18(25)13-6-7-16(20)17(9-13)24(26)27/h3-10H,1-2H3,(H,21,22,23)