4-[(4-methoxycarbonyl-5-methyl-3-phenyl-pyrrol-2-ylidene)methylamino]benzoic acid

Systemtic Name: 4-[(4-methoxycarbonyl-5-methyl-3-phenyl-pyrrol-2-ylidene)methylamino]benzoic acid Openeye Name: 4-[(4-methoxycarbonyl-5-methyl-3-phenyl-pyrrol-2-ylidene)methylamino]benzoic acid CAS Name: 4-[(4-methoxycarbonyl-5-methyl-3-phenyl-2-pyrrolylidene)methylamino]benzoic acid IUPAC Name: 4-[(4-methoxycarbonyl-5-methyl-3-phenylpyrrol-2-ylidene)methylamino]benzoic acid Traditional Name: 4-[(4-carbomethoxy-5-methyl-3-phenyl-pyrrol-2-ylidene)methylamino]benzoic acid Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CNC2=CC=C(C=C2)C(=O)O)C(=C1C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CNC2=CC=C(C=C2)C(=O)O)C(=C1C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H18N2O4/c1-13-18(21(26)27-2)19(14-6-4-3-5-7-14)17(23-13)12-22-16-10-8-15(9-11-16)20(24)25/h3-12,22H,1-2H3,(H,24,25)