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

Systemtic Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [4-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [4-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C18H13ClN4O4 MolecularWeight: 384.77322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN4O4/c1-11-8-17(21-10-20-11)22-13-3-5-14(6-4-13)27-18(24)12-2-7-15(19)16(9-12)23(25)26/h2-10H,1H3,(H,20,21,22)