4-[[6-(2,6-dimethyl-4-nitro-phenoxy)-3-nitro-pyridin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[6-(2,6-dimethyl-4-nitro-phenoxy)-3-nitro-pyridin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[6-(2,6-dimethyl-4-nitro-phenoxy)-3-nitro-2-pyridyl]amino]benzonitrile CAS Name: 4-[[6-(2,6-dimethyl-4-nitrophenoxy)-3-nitro-2-pyridinyl]amino]benzonitrile IUPAC Name: 4-[[6-(2,6-dimethyl-4-nitrophenoxy)-3-nitropyridin-2-yl]amino]benzonitrile Traditional Name: 4-[[6-(2,6-dimethyl-4-nitro-phenoxy)-3-nitro-2-pyridyl]amino]benzonitrile Formula: C20H15N5O5 MolecularWeight: 405.3636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=NC(=C(C=C2)[N+](=O)[O-])NC3=CC=C(C=C3)C#N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OC2=NC(=C(C=C2)[N+](=O)[O-])NC3=CC=C(C=C3)C#N)C)[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O5/c1-12-9-16(24(26)27)10-13(2)19(12)30-18-8-7-17(25(28)29)20(23-18)22-15-5-3-14(11-21)4-6-15/h3-10H,1-2H3,(H,22,23)