[4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C23H15ClN4O4 MolecularWeight: 446.8426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H15ClN4O4/c24-19-11-6-16(12-21(19)28(30)31)23(29)32-18-9-7-17(8-10-18)27-22-13-20(25-14-26-22)15-4-2-1-3-5-15/h1-14H,(H,25,26,27)