(E)-2-acetamido-3-[4,6-dimethyl-2-(3-nitrophenyl)pyrimidin-5-yl]prop-2-enoic acid

Systemtic Name: (E)-2-acetamido-3-[4,6-dimethyl-2-(3-nitrophenyl)pyrimidin-5-yl]prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-[4,6-dimethyl-2-(3-nitrophenyl)pyrimidin-5-yl]prop-2-enoic acid CAS Name: (E)-2-acetamido-3-[4,6-dimethyl-2-(3-nitrophenyl)-5-pyrimidinyl]-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-[4,6-dimethyl-2-(3-nitrophenyl)pyrimidin-5-yl]prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-[4,6-dimethyl-2-(3-nitrophenyl)pyrimidin-5-yl]acrylic acid Formula: C17H16N4O5 MolecularWeight: 356.33274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O5/c1-9-14(8-15(17(23)24)20-11(3)22)10(2)19-16(18-9)12-5-4-6-13(7-12)21(25)26/h4-8H,1-3H3,(H,20,22)(H,23,24)/b15-8+