4-[[4-[(4,6-dimethyl-3-nitro-2,3-dihydro-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[(4,6-dimethyl-3-nitro-2,3-dihydro-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(4,6-dimethyl-3-nitro-indan-5-yl)oxypyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[(4,6-dimethyl-3-nitro-2,3-dihydro-1H-inden-5-yl)oxy]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[(4,6-dimethyl-3-nitro-2,3-dihydro-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(4,6-dimethyl-3-nitro-indan-5-yl)oxypyrimidin-2-yl]amino]benzonitrile Formula: C22H19N5O3 MolecularWeight: 401.41796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(CCC2=C1)[N+](=O)[O-])C)OC3=NC(=NC=C3)NC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C(=C2C(CCC2=C1)[N+](=O)[O-])C)OC3=NC(=NC=C3)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H19N5O3/c1-13-11-16-5-8-18(27(28)29)20(16)14(2)21(13)30-19-9-10-24-22(26-19)25-17-6-3-15(12-23)4-7-17/h3-4,6-7,9-11,18H,5,8H2,1-2H3,(H,24,25,26)