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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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