ethyl 3-[(6-naphthalen-2-yloxy-5-nitro-pyrimidin-4-yl)amino]benzoate

Systemtic Name: ethyl 3-[(6-naphthalen-2-yloxy-5-nitro-pyrimidin-4-yl)amino]benzoate Openeye Name: ethyl 3-[[6-(2-naphthyloxy)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-(2-naphthalenyloxy)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)amino]benzoate Traditional Name: 3-[[6-(2-naphthoxy)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C23H18N4O5 MolecularWeight: 430.41282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N4O5/c1-2-31-23(28)17-8-5-9-18(12-17)26-21-20(27(29)30)22(25-14-24-21)32-19-11-10-15-6-3-4-7-16(15)13-19/h3-14H,2H2,1H3,(H,24,25,26)