ethyl 4-[[6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC4=CC=CC=C43

InChI

InChI=1S/C22H21N5O4/c1-2-31-22(28)16-9-11-17(12-10-16)25-20-19(27(29)30)21(24-14-23-20)26-13-5-7-15-6-3-4-8-18(15)26/h3-4,6,8-12,14H,2,5,7,13H2,1H3,(H,23,24,25)