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

Systemtic Name: methyl 2-[[6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC4=CC=CC=C43

InChI

InChI=1S/C21H19N5O4/c1-30-21(27)15-9-3-4-10-16(15)24-19-18(26(28)29)20(23-13-22-19)25-12-6-8-14-7-2-5-11-17(14)25/h2-5,7,9-11,13H,6,8,12H2,1H3,(H,22,23,24)