N-[3-(2-methylpyrimidin-4-yl)phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-3,5-dinitro-benzamide Openeye Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-3,5-dinitro-benzamide CAS Name: N-[3-(2-methyl-4-pyrimidinyl)phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-3,5-dinitrobenzamide Traditional Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-3,5-dinitro-benzamide Formula: C18H13N5O5 MolecularWeight: 379.32632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N5O5/c1-11-19-6-5-17(20-11)12-3-2-4-14(7-12)21-18(24)13-8-15(22(25)26)10-16(9-13)23(27)28/h2-10H,1H3,(H,21,24)