8-(3-nitrophenyl)carbonyl-1-(phenylcarbonyl)-4-oxa-1,8-diazaspiro[4.5]decane-2-carboxylic acid

Systemtic Name: 8-(3-nitrophenyl)carbonyl-1-(phenylcarbonyl)-4-oxa-1,8-diazaspiro[4.5]decane-2-carboxylic acid Openeye Name: 1-benzoyl-8-(3-nitrobenzoyl)-4-oxa-1,8-diazaspiro[4.5]decane-2-carboxylic acid CAS Name: 1-benzoyl-8-[(3-nitrophenyl)-oxomethyl]-4-oxa-1,8-diazaspiro[4.5]decane-2-carboxylic acid IUPAC Name: 1-benzoyl-8-(3-nitrobenzoyl)-4-oxa-1,8-diazaspiro[4.5]decane-2-carboxylic acid Traditional Name: 1-benzoyl-8-(3-nitrobenzoyl)-4-oxa-1,8-diazaspiro[4.5]decane-2-carboxylic acid Formula: C22H21N3O7 MolecularWeight: 439.41804

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12N(C(CO2)C(=O)O)C(=O)C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC12N(C(CO2)C(=O)O)C(=O)C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O7/c26-19(16-7-4-8-17(13-16)25(30)31)23-11-9-22(10-12-23)24(18(14-32-22)21(28)29)20(27)15-5-2-1-3-6-15/h1-8,13,18H,9-12,14H2,(H,28,29)