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

Systemtic Name: (E)-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[4-[(6-methyl-4-pyrimidinyl)amino]phenyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-3-(4-nitrophenyl)acrylamide Formula: C20H17N5O3 MolecularWeight: 375.38068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O3/c1-14-12-19(22-13-21-14)23-16-5-7-17(8-6-16)24-20(26)11-4-15-2-9-18(10-3-15)25(27)28/h2-13H,1H3,(H,24,26)(H,21,22,23)/b11-4+