[(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-azanyl-4-chloranyl-benzoate

Systemtic Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-azanyl-4-chloranyl-benzoate Openeye Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxo-propyl] 2-amino-4-chloro-benzoate CAS Name: 2-amino-4-chlorobenzoic acid [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] 2-amino-4-chlorobenzoate Traditional Name: 2-amino-4-chloro-benzoic acid [(3E)-3-cyano-2-keto-3-(3-methyl-1H-benzimidazol-2-ylidene)propyl] ester Formula: C19H15ClN4O3 MolecularWeight: 382.8004

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2NC1=C(C#N)C(=O)COC(=O)C3=C(C=C(C=C3)Cl)N

Isomeric SMILES

CN\1C2=CC=CC=C2N/C1=C(/C#N)\C(=O)COC(=O)C3=C(C=C(C=C3)Cl)N

InChI

InChI=1S/C19H15ClN4O3/c1-24-16-5-3-2-4-15(16)23-18(24)13(9-21)17(25)10-27-19(26)12-7-6-11(20)8-14(12)22/h2-8,23H,10,22H2,1H3/b18-13+