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

Systemtic Name: [2-bromanyl-4-[(E)-3-[(4-chloranyl-2-nitro-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] ethanoate Openeye Name: [2-bromo-4-[(E)-3-(4-chloro-2-nitro-anilino)-2-cyano-3-oxo-prop-1-enyl]phenyl] acetate CAS Name: acetic acid [2-bromo-4-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-bromo-4-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] acetate Traditional Name: acetic acid [2-bromo-4-[(E)-3-(4-chloro-2-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)Cl)[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

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