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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

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