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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C43

InChI

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