[4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C27H23N5O4 MolecularWeight: 481.50262

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)NC4=NC=NC(=C4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)NC4=NC=NC(=C4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H23N5O4/c33-27(20-8-13-24(25(16-20)32(34)35)31-14-4-5-15-31)36-22-11-9-21(10-12-22)30-26-17-23(28-18-29-26)19-6-2-1-3-7-19/h1-3,6-13,16-18H,4-5,14-15H2,(H,28,29,30)