2-methylpropyl 4-[(6-naphthalen-1-yloxy-5-nitro-pyrimidin-4-yl)amino]benzoate

Systemtic Name: 2-methylpropyl 4-[(6-naphthalen-1-yloxy-5-nitro-pyrimidin-4-yl)amino]benzoate Openeye Name: isobutyl 4-[[6-(1-naphthyloxy)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(1-naphthalenyloxy)-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)amino]benzoate Traditional Name: 4-[[6-(1-naphthoxy)-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C25H22N4O5 MolecularWeight: 458.46598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O5/c1-16(2)14-33-25(30)18-10-12-19(13-11-18)28-23-22(29(31)32)24(27-15-26-23)34-21-9-5-7-17-6-3-4-8-20(17)21/h3-13,15-16H,14H2,1-2H3,(H,26,27,28)