4-[2-chloranyl-4-nitro-3-(prop-2-enylamino)phenoxy]benzenecarbonitrile

Systemtic Name: 4-[2-chloranyl-4-nitro-3-(prop-2-enylamino)phenoxy]benzenecarbonitrile Openeye Name: 4-[3-(allylamino)-2-chloro-4-nitro-phenoxy]benzonitrile CAS Name: 4-[2-chloro-4-nitro-3-(prop-2-enylamino)phenoxy]benzonitrile IUPAC Name: 4-[2-chloro-4-nitro-3-(prop-2-enylamino)phenoxy]benzonitrile Traditional Name: 4-[3-(allylamino)-2-chloro-4-nitro-phenoxy]benzonitrile Formula: C16H12ClN3O3 MolecularWeight: 329.73778

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=C(C=CC(=C1Cl)OC2=CC=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

C=CCNC1=C(C=CC(=C1Cl)OC2=CC=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClN3O3/c1-2-9-19-16-13(20(21)22)7-8-14(15(16)17)23-12-5-3-11(10-18)4-6-12/h2-8,19H,1,9H2