3-[(4-bromanyl-2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylideneamino]-4-chloranyl-benzoic acid

Systemtic Name: 3-[(4-bromanyl-2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylideneamino]-4-chloranyl-benzoic acid Openeye Name: 3-[(4-bromo-2,5-dimethyl-1-phenyl-pyrrol-3-yl)methyleneamino]-4-chloro-benzoic acid CAS Name: 3-[(4-bromo-2,5-dimethyl-1-phenyl-3-pyrrolyl)methylideneamino]-4-chlorobenzoic acid IUPAC Name: 3-[(4-bromo-2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-4-chlorobenzoic acid Traditional Name: 3-[(4-bromo-2,5-dimethyl-1-phenyl-pyrrol-3-yl)methyleneamino]-4-chloro-benzoic acid Formula: C20H16BrClN2O2 MolecularWeight: 431.71024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C2=CC=CC=C2)C)Br)C=NC3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

CC1=C(C(=C(N1C2=CC=CC=C2)C)Br)C=NC3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C20H16BrClN2O2/c1-12-16(11-23-18-10-14(20(25)26)8-9-17(18)22)19(21)13(2)24(12)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,25,26)