7-(tert-butylamino)-1-cyclopropyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(tert-butylamino)-1-cyclopropyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(tert-butylamino)-1-cyclopropyl-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(tert-butylamino)-1-cyclopropyl-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(tert-butylamino)-1-cyclopropyl-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(tert-butylamino)-1-cyclopropyl-4-keto-6-nitro-quinoline-3-carboxylic acid Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O5/c1-17(2,3)18-12-7-13-10(6-14(12)20(24)25)15(21)11(16(22)23)8-19(13)9-4-5-9/h6-9,18H,4-5H2,1-3H3,(H,22,23)