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

Systemtic Name: [2-bromanyl-4-[(E)-3-[(2-chloranyl-4-nitro-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] ethanoate Openeye Name: [2-bromo-4-[(E)-3-(2-chloro-4-nitro-anilino)-2-cyano-3-oxo-prop-1-enyl]phenyl] acetate CAS Name: acetic acid [2-bromo-4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-bromo-4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] acetate Traditional Name: acetic acid [2-bromo-4-[(E)-3-(2-chloro-4-nitro-anilino)-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C18H11BrClN3O5 MolecularWeight: 464.65404

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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=C(C=C2)[N+](=O)[O-])Cl)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H11BrClN3O5/c1-10(24)28-17-5-2-11(7-14(17)19)6-12(9-21)18(25)22-16-4-3-13(23(26)27)8-15(16)20/h2-8H,1H3,(H,22,25)/b12-6+