5-nitro-2-[4-(3-oxidanylidenebutyl)phenoxy]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[4-(3-oxidanylidenebutyl)phenoxy]benzenecarbonitrile Openeye Name: 5-nitro-2-[4-(3-oxobutyl)phenoxy]benzonitrile CAS Name: 5-nitro-2-[4-(3-oxobutyl)phenoxy]benzonitrile IUPAC Name: 5-nitro-2-[4-(3-oxobutyl)phenoxy]benzonitrile Traditional Name: 2-[4-(3-ketobutyl)phenoxy]-5-nitro-benzonitrile Formula: C17H14N2O4 MolecularWeight: 310.30406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H14N2O4/c1-12(20)2-3-13-4-7-16(8-5-13)23-17-9-6-15(19(21)22)10-14(17)11-18/h4-10H,2-3H2,1H3