2-[[2-[(2-carboxyphenyl)carbamoyl]-3-(1-methylpyrrol-2-yl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[2-[(2-carboxyphenyl)carbamoyl]-3-(1-methylpyrrol-2-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[2-[(2-carboxyphenyl)carbamoyl]-3-(1-methylpyrrol-2-yl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[2-[(2-carboxyanilino)-oxomethyl]-3-(1-methyl-2-pyrrolyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[2-[(2-carboxyphenyl)carbamoyl]-3-(1-methylpyrrol-2-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[2-[(2-carboxyphenyl)carbamoyl]-3-(1-methylpyrrol-2-yl)acryloyl]amino]benzoic acid Formula: C23H19N3O6 MolecularWeight: 433.41346

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C=C(C(=O)NC2=CC=CC=C2C(=O)O)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CN1C=CC=C1C=C(C(=O)NC2=CC=CC=C2C(=O)O)C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H19N3O6/c1-26-12-6-7-14(26)13-17(20(27)24-18-10-4-2-8-15(18)22(29)30)21(28)25-19-11-5-3-9-16(19)23(31)32/h2-13H,1H3,(H,24,27)(H,25,28)(H,29,30)(H,31,32)