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

Systemtic Name: ethyl 3-[[6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[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(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC4=CC=CC=C43

Isomeric SMILES

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

InChI

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