2-azanyl-4-(4-cyano-2,6-dimethyl-phenoxy)-5-nitro-3-pyrimidin-2-yl-benzenecarbonitrile

Systemtic Name: 2-azanyl-4-(4-cyano-2,6-dimethyl-phenoxy)-5-nitro-3-pyrimidin-2-yl-benzenecarbonitrile Openeye Name: 2-amino-4-(4-cyano-2,6-dimethyl-phenoxy)-5-nitro-3-pyrimidin-2-yl-benzonitrile CAS Name: 2-amino-4-(4-cyano-2,6-dimethylphenoxy)-5-nitro-3-(2-pyrimidinyl)benzonitrile IUPAC Name: 2-amino-4-(4-cyano-2,6-dimethylphenoxy)-5-nitro-3-pyrimidin-2-ylbenzonitrile Traditional Name: 2-amino-4-(4-cyano-2,6-dimethyl-phenoxy)-5-nitro-3-(2-pyrimidyl)benzonitrile Formula: C20H14N6O3 MolecularWeight: 386.36356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=C(C=C(C(=C2C3=NC=CC=N3)N)C#N)[N+](=O)[O-])C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1OC2=C(C=C(C(=C2C3=NC=CC=N3)N)C#N)[N+](=O)[O-])C)C#N

InChI

InChI=1S/C20H14N6O3/c1-11-6-13(9-21)7-12(2)18(11)29-19-15(26(27)28)8-14(10-22)17(23)16(19)20-24-4-3-5-25-20/h3-8H,23H2,1-2H3