2-[4-(dimethylamino)-3-nitro-phenyl]carbonyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide

Systemtic Name: 2-[4-(dimethylamino)-3-nitro-phenyl]carbonyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide Openeye Name: 2-[4-(dimethylamino)-3-nitro-benzoyl]-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide CAS Name: 2-[[4-(dimethylamino)-3-nitrophenyl]-oxomethyl]-N-[3-(2-methyl-4-pyrimidinyl)phenyl]benzamide IUPAC Name: 2-[4-(dimethylamino)-3-nitrobenzoyl]-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide Traditional Name: 2-[4-(dimethylamino)-3-nitro-benzoyl]-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide Formula: C27H23N5O4 MolecularWeight: 481.50262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3C(=O)C4=CC(=C(C=C4)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3C(=O)C4=CC(=C(C=C4)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C27H23N5O4/c1-17-28-14-13-23(29-17)18-7-6-8-20(15-18)30-27(34)22-10-5-4-9-21(22)26(33)19-11-12-24(31(2)3)25(16-19)32(35)36/h4-16H,1-3H3,(H,30,34)