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

Systemtic Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid [4-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] (E)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid [4-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C20H16N4O4 MolecularWeight: 376.36544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O4/c1-14-12-19(22-13-21-14)23-16-5-9-18(10-6-16)28-20(25)11-4-15-2-7-17(8-3-15)24(26)27/h2-13H,1H3,(H,21,22,23)/b11-4+