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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C43

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C43

InChI

InChI=1S/C21H19N5O4/c1-24(17-10-6-4-8-15(17)21(27)30-2)19-18(26(28)29)20(23-13-22-19)25-12-11-14-7-3-5-9-16(14)25/h3-10,13H,11-12H2,1-2H3