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

Systemtic Name: 3-nitro-4-[4-(3-oxidanylidenebutyl)phenoxy]benzenecarbonitrile Openeye Name: 3-nitro-4-[4-(3-oxobutyl)phenoxy]benzonitrile CAS Name: 3-nitro-4-[4-(3-oxobutyl)phenoxy]benzonitrile IUPAC Name: 3-nitro-4-[4-(3-oxobutyl)phenoxy]benzonitrile Traditional Name: 4-[4-(3-ketobutyl)phenoxy]-3-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)C#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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