3-nitro-4-[[3-[(2-oxidanylidenepyrimidin-1-yl)methyl]phenyl]amino]benzenecarbonitrile

Systemtic Name: 3-nitro-4-[[3-[(2-oxidanylidenepyrimidin-1-yl)methyl]phenyl]amino]benzenecarbonitrile Openeye Name: 3-nitro-4-[3-[(2-oxopyrimidin-1-yl)methyl]anilino]benzonitrile CAS Name: 3-nitro-4-[3-[(2-oxo-1-pyrimidinyl)methyl]anilino]benzonitrile IUPAC Name: 3-nitro-4-[3-[(2-oxopyrimidin-1-yl)methyl]anilino]benzonitrile Traditional Name: 4-[3-[(2-ketopyrimidin-1-yl)methyl]anilino]-3-nitro-benzonitrile Formula: C18H13N5O3 MolecularWeight: 347.32752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=C(C=C(C=C2)C#N)[N+](=O)[O-])CN3C=CC=NC3=O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C(C=C(C=C2)C#N)[N+](=O)[O-])CN3C=CC=NC3=O

InChI

InChI=1S/C18H13N5O3/c19-11-13-5-6-16(17(10-13)23(25)26)21-15-4-1-3-14(9-15)12-22-8-2-7-20-18(22)24/h1-10,21H,12H2