1-tert-butyl-7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-tert-butyl-7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-keto-6-nitro-quinoline-3-carboxylic acid Formula: C21H25N3O7 MolecularWeight: 431.4391

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCC4(CC3)OCCO4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCC4(CC3)OCCO4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H25N3O7/c1-20(2,3)23-12-14(19(26)27)18(25)13-10-17(24(28)29)16(11-15(13)23)22-6-4-21(5-7-22)30-8-9-31-21/h10-12H,4-9H2,1-3H3,(H,26,27)