[3-[(6-phenylpyrimidin-4-yl)amino]phenyl] (E)-3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid [3-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C25H18N4O4 MolecularWeight: 438.43482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC(=CC=C3)OC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H18N4O4/c30-25(13-12-18-6-4-10-21(14-18)29(31)32)33-22-11-5-9-20(15-22)28-24-16-23(26-17-27-24)19-7-2-1-3-8-19/h1-17H,(H,26,27,28)/b13-12+