ethyl 3-[[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[5-nitro-6-(5-quinolylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[5-nitro-6-(5-quinolinylamino)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[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=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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