[2-bromanyl-4-[2-cyano-3-[(2-fluoranyl-5-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] ethanoate

Systemtic Name: [2-bromanyl-4-[2-cyano-3-[(2-fluoranyl-5-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] ethanoate Openeye Name: [2-bromo-4-[2-cyano-3-(2-fluoro-5-nitro-anilino)-3-oxo-prop-1-enyl]phenyl] acetate CAS Name: acetic acid [2-bromo-4-[2-cyano-3-(2-fluoro-5-nitroanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-bromo-4-[2-cyano-3-(2-fluoro-5-nitroanilino)-3-oxoprop-1-enyl]phenyl] acetate Traditional Name: acetic acid [2-bromo-4-[2-cyano-3-(2-fluoro-5-nitro-anilino)-3-keto-prop-1-enyl]phenyl] ester Formula: C18H11BrFN3O5 MolecularWeight: 448.199443

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F)Br

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F)Br

InChI

InChI=1S/C18H11BrFN3O5/c1-10(24)28-17-5-2-11(7-14(17)19)6-12(9-21)18(25)22-16-8-13(23(26)27)3-4-15(16)20/h2-8H,1H3,(H,22,25)