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

Systemtic Name: methyl 2-[methyl-[6-(naphthalen-1-ylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[methyl-[6-(1-naphthylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[methyl-[6-(1-naphthalenylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[6-(naphthalen-1-ylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[methyl-[6-(1-naphthylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C23H19N5O4 MolecularWeight: 429.42806

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H19N5O4/c1-27(19-13-6-5-11-17(19)23(29)32-2)22-20(28(30)31)21(24-14-25-22)26-18-12-7-9-15-8-3-4-10-16(15)18/h3-14H,1-2H3,(H,24,25,26)