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

Systemtic Name: 4-[[[4-bromanyl-1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]methyl]benzoic acid Openeye Name: 4-[[[4-bromo-1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]methyl]benzoic acid CAS Name: 4-[[[4-bromo-1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]methyl]benzoic acid IUPAC Name: 4-[[[4-bromo-1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]methyl]benzoic acid Traditional Name: 4-[[[4-bromo-1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]methyl]benzoic acid Formula: C21H18Br2N2O2 MolecularWeight: 490.18782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C2=CC=C(C=C2)Br)C)Br)C=NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=C(N1C2=CC=C(C=C2)Br)C)Br)C=NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H18Br2N2O2/c1-13-19(12-24-11-15-3-5-16(6-4-15)21(26)27)20(23)14(2)25(13)18-9-7-17(22)8-10-18/h3-10,12H,11H2,1-2H3,(H,26,27)