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

Systemtic Name: methyl 4-[(6-naphthalen-2-yloxy-5-nitro-pyrimidin-4-yl)amino]benzoate Openeye Name: methyl 4-[[6-(2-naphthyloxy)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(2-naphthalenyloxy)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H16N4O5 MolecularWeight: 416.38624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N4O5/c1-30-22(27)15-6-9-17(10-7-15)25-20-19(26(28)29)21(24-13-23-20)31-18-11-8-14-4-2-3-5-16(14)12-18/h2-13H,1H3,(H,23,24,25)