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

Systemtic Name: methyl 4-[[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[5-nitro-6-(5-quinolylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(5-quinolinylamino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-nitro-6-(5-quinolylamino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C21H16N6O4 MolecularWeight: 416.38954

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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=C3C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N6O4/c1-31-21(28)13-7-9-14(10-8-13)25-19-18(27(29)30)20(24-12-23-19)26-17-6-2-5-16-15(17)4-3-11-22-16/h2-12H,1H3,(H2,23,24,25,26)