2-[4-[(E)-3-[(4-chloranyl-3-nitro-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoate

Systemtic Name: 2-[4-[(E)-3-[(4-chloranyl-3-nitro-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoate Openeye Name: 2-[4-[(E)-3-(4-chloro-3-nitro-anilino)-2-cyano-3-oxo-prop-1-enyl]phenoxy]acetate CAS Name: 2-[4-[(E)-3-(4-chloro-3-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetate IUPAC Name: 2-[4-[(E)-3-(4-chloro-3-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetate Traditional Name: 2-[4-[(E)-3-(4-chloro-3-nitro-anilino)-2-cyano-3-keto-prop-1-enyl]phenoxy]acetate Formula: C18H11ClN3O6- MolecularWeight: 400.74944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C#N)C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])OCC(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=C(\C#N)/C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])OCC(=O)[O-]

InChI

InChI=1S/C18H12ClN3O6/c19-15-6-3-13(8-16(15)22(26)27)21-18(25)12(9-20)7-11-1-4-14(5-2-11)28-10-17(23)24/h1-8H,10H2,(H,21,25)(H,23,24)/p-1/b12-7+