ethyl 2-[[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 2-[[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 2-[[5-nitro-6-(5-quinolylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[5-nitro-6-(5-quinolinylamino)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[5-nitro-6-(5-quinolylamino)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C22H18N6O4 MolecularWeight: 430.41612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C22H18N6O4/c1-2-32-22(29)15-7-3-4-9-18(15)27-21-19(28(30)31)20(24-13-25-21)26-17-11-5-10-16-14(17)8-6-12-23-16/h3-13H,2H2,1H3,(H2,24,25,26,27)