4-[(3-cyanocyclohepta[b]pyrrol-2-yl)amino]benzoic acid

Systemtic Name: 4-[(3-cyanocyclohepta[b]pyrrol-2-yl)amino]benzoic acid Openeye Name: 4-[(3-cyanocyclohepta[b]pyrrol-2-yl)amino]benzoic acid CAS Name: 4-[(3-cyano-2-cyclohepta[b]pyrrolyl)amino]benzoic acid IUPAC Name: 4-[(3-cyanocyclohepta[b]pyrrol-2-yl)amino]benzoic acid Traditional Name: 4-[(3-cyanocyclohepta[b]pyrrol-2-yl)amino]benzoic acid Formula: C17H11N3O2 MolecularWeight: 289.28814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=NC(=C2C#N)NC3=CC=C(C=C3)C(=O)O)C=C1

Isomeric SMILES

C1=CC=C2C(=NC(=C2C#N)NC3=CC=C(C=C3)C(=O)O)C=C1

InChI

InChI=1S/C17H11N3O2/c18-10-14-13-4-2-1-3-5-15(13)20-16(14)19-12-8-6-11(7-9-12)17(21)22/h1-9H,(H,19,20)(H,21,22)