3-[[2-cyano-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-1-oxo-3-(1,2,5-trimethyl-3-pyrrolyl)prop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-(1,2,5-trimethylpyrrol-3-yl)acryloyl]amino]benzoic acid Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C)C)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C18H17N3O3/c1-11-7-14(12(2)21(11)3)8-15(10-19)17(22)20-16-6-4-5-13(9-16)18(23)24/h4-9H,1-3H3,(H,20,22)(H,23,24)