1-tert-butyl-7-(2-carboxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-tert-butyl-7-(2-carboxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-7-(2-carboxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-7-(2-carboxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-7-(2-carboxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-7-(2-carboxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-keto-6-nitro-quinoline-3-carboxylic acid Formula: C21H21N5O7 MolecularWeight: 455.42074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCN4C=C(N=C4C3)C(=O)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCN4C=C(N=C4C3)C(=O)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H21N5O7/c1-21(2,3)25-8-12(19(28)29)18(27)11-6-16(26(32)33)15(7-14(11)25)23-4-5-24-9-13(20(30)31)22-17(24)10-23/h6-9H,4-5,10H2,1-3H3,(H,28,29)(H,30,31)