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

Systemtic Name: 1-[4-[[6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)amino]phenyl]ethanone CAS Name: 1-[4-[[6-(2,3-dihydroindol-1-yl)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[4-[(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)amino]phenyl]ethanone Formula: C20H17N5O3 MolecularWeight: 375.38068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O3/c1-13(26)14-6-8-16(9-7-14)23-19-18(25(27)28)20(22-12-21-19)24-11-10-15-4-2-3-5-17(15)24/h2-9,12H,10-11H2,1H3,(H,21,22,23)