1-(3-methoxy-4-nitro-phenyl)carbonylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxylic acid

Systemtic Name: 1-(3-methoxy-4-nitro-phenyl)carbonylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxylic acid Openeye Name: 1-(3-methoxy-4-nitro-benzoyl)spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxylic acid CAS Name: 1-[(3-methoxy-4-nitrophenyl)-oxomethyl]-1'-spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]carboxylic acid IUPAC Name: 1-(3-methoxy-4-nitrobenzoyl)spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxylic acid Traditional Name: 1-(3-methoxy-4-nitro-benzoyl)spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxylic acid Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCC3(CCC(=C3)C(=O)O)CC4=CC=CC=C42)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCC3(CCC(=C3)C(=O)O)CC4=CC=CC=C42)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O6/c1-31-20-12-15(6-7-19(20)25(29)30)21(26)24-11-10-23(9-8-17(14-23)22(27)28)13-16-4-2-3-5-18(16)24/h2-7,12,14H,8-11,13H2,1H3,(H,27,28)