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

Systemtic Name: methyl 4-[[6-(naphthalen-1-ylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-(1-naphthylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(1-naphthalenylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(naphthalen-1-ylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(1-naphthylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C22H17N5O4 MolecularWeight: 415.40148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O4/c1-31-22(28)15-9-11-16(12-10-15)25-20-19(27(29)30)21(24-13-23-20)26-18-8-4-6-14-5-2-3-7-17(14)18/h2-13H,1H3,(H2,23,24,25,26)