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

Systemtic Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid [3-[(4,6-dimethyl-2-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] ester Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC(=CC=C2)OC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O4/c1-14-11-15(2)23-21(22-14)24-17-6-4-8-19(13-17)29-20(26)10-9-16-5-3-7-18(12-16)25(27)28/h3-13H,1-2H3,(H,22,23,24)/b10-9+