4-chloranyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-[(6-methyl-4-pyrimidinyl)amino]phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-3-nitro-benzamide Formula: C18H14ClN5O3 MolecularWeight: 383.78846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN5O3/c1-11-8-17(21-10-20-11)22-13-3-5-14(6-4-13)23-18(25)12-2-7-15(19)16(9-12)24(26)27/h2-10H,1H3,(H,23,25)(H,20,21,22)