[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-5-bromanyl-benzoate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-5-bromanyl-benzoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C16H11BrClN3O3 MolecularWeight: 408.63384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)COC(=O)C2=C(C=CC(=C2)Br)N)Cl)C#N

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)COC(=O)C2=C(C=CC(=C2)Br)N)Cl)C#N

InChI

InChI=1S/C16H11BrClN3O3/c17-10-2-4-14(20)12(5-10)16(23)24-8-15(22)21-11-3-1-9(7-19)13(18)6-11/h1-6H,8,20H2,(H,21,22)