2-cyano-5-(4-oxidanylidenespiro[cyclohexane-3,3'-indole]-1-yl)pyrrole-1-carboxylic acid

Systemtic Name: 2-cyano-5-(4-oxidanylidenespiro[cyclohexane-3,3'-indole]-1-yl)pyrrole-1-carboxylic acid Openeye Name: 2-cyano-5-(4-oxospiro[cyclohexane-3,3'-indole]-1-yl)pyrrole-1-carboxylic acid CAS Name: 2-cyano-5-(4-oxo-1-spiro[cyclohexane-3,3'-indole]yl)-1-pyrrolecarboxylic acid IUPAC Name: 2-cyano-5-(4-oxospiro[cyclohexane-3,3'-indole]-1-yl)pyrrole-1-carboxylic acid Traditional Name: 2-cyano-5-(4-ketospiro[cyclohexane-3,3'-indole]-1-yl)pyrrole-1-carboxylic acid Formula: C19H15N3O3 MolecularWeight: 333.3407

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C2(CC1C3=CC=C(N3C(=O)O)C#N)C=NC4=CC=CC=C24

Isomeric SMILES

C1CC(=O)C2(CC1C3=CC=C(N3C(=O)O)C#N)C=NC4=CC=CC=C24

InChI

InChI=1S/C19H15N3O3/c20-10-13-6-7-16(22(13)18(24)25)12-5-8-17(23)19(9-12)11-21-15-4-2-1-3-14(15)19/h1-4,6-7,11-12H,5,8-9H2,(H,24,25)