4-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxyphenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxyphenyl]benzenecarbonitrile Openeye Name: 4-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxyphenyl]benzonitrile CAS Name: 4-[4-[[4-(cyclopropylamino)-5-nitro-2-pyrimidinyl]oxy]phenyl]benzonitrile IUPAC Name: 4-[4-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]oxyphenyl]benzonitrile Traditional Name: 4-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxyphenyl]benzonitrile Formula: C20H15N5O3 MolecularWeight: 373.3648

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H15N5O3/c21-11-13-1-3-14(4-2-13)15-5-9-17(10-6-15)28-20-22-12-18(25(26)27)19(24-20)23-16-7-8-16/h1-6,9-10,12,16H,7-8H2,(H,22,23,24)