2-(3'-nitro-2-oxidanylidene-spiro[1H-indole-3,1'-cyclohexane]-5-yl)pyrrole-1-carboxylic acid

Systemtic Name: 2-(3'-nitro-2-oxidanylidene-spiro[1H-indole-3,1'-cyclohexane]-5-yl)pyrrole-1-carboxylic acid Openeye Name: 2-(3-nitro-2'-oxo-spiro[cyclohexane-1,3'-indoline]-5'-yl)pyrrole-1-carboxylic acid CAS Name: 2-(3'-nitro-2-oxo-5-spiro[1H-indole-3,1'-cyclohexane]yl)-1-pyrrolecarboxylic acid IUPAC Name: 2-(3'-nitro-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)pyrrole-1-carboxylic acid Traditional Name: 2-(2'-keto-3-nitro-spiro[cyclohexane-1,3'-indoline]-5'-yl)pyrrole-1-carboxylic acid Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC2(C1)C3=C(C=CC(=C3)C4=CC=CN4C(=O)O)NC2=O)[N+](=O)[O-]

Isomeric SMILES

C1CC(CC2(C1)C3=C(C=CC(=C3)C4=CC=CN4C(=O)O)NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5/c22-16-18(7-1-3-12(10-18)21(25)26)13-9-11(5-6-14(13)19-16)15-4-2-8-20(15)17(23)24/h2,4-6,8-9,12H,1,3,7,10H2,(H,19,22)(H,23,24)