4-[[[3-(2-methylpyrimidin-4-yl)phenyl]amino]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[[3-(2-methylpyrimidin-4-yl)phenyl]amino]methyl]-3-nitro-benzamide Openeye Name: 4-[[3-(2-methylpyrimidin-4-yl)anilino]methyl]-3-nitro-benzamide CAS Name: 4-[[3-(2-methyl-4-pyrimidinyl)anilino]methyl]-3-nitrobenzamide IUPAC Name: 4-[[3-(2-methylpyrimidin-4-yl)anilino]methyl]-3-nitrobenzamide Traditional Name: 4-[[3-(2-methylpyrimidin-4-yl)anilino]methyl]-3-nitro-benzamide Formula: C19H17N5O3 MolecularWeight: 363.36998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O3/c1-12-21-8-7-17(23-12)13-3-2-4-16(9-13)22-11-15-6-5-14(19(20)25)10-18(15)24(26)27/h2-10,22H,11H2,1H3,(H2,20,25)