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

Systemtic Name: ethyl 4-[[6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)amino]benzoate CAS Name: 4-[[6-(2,3-dihydroindol-1-yl)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[(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=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C43

Isomeric SMILES

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

InChI

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