[4-[(6-methylpyrimidin-4-yl)amino]phenyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [4-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [4-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O6/c1-12-8-19(22-11-21-12)23-13-4-6-14(7-5-13)30-20(25)15-9-17(28-2)18(29-3)10-16(15)24(26)27/h4-11H,1-3H3,(H,21,22,23)