4-(7-imidazol-1-yl-3,4-dihydro-2H-quinoxalin-1-yl)-4-(2-nitrophenyl)-2,3-bis(oxidanylidene)pentanoic acid

Systemtic Name: 4-(7-imidazol-1-yl-3,4-dihydro-2H-quinoxalin-1-yl)-4-(2-nitrophenyl)-2,3-bis(oxidanylidene)pentanoic acid Openeye Name: 4-(7-imidazol-1-yl-3,4-dihydro-2H-quinoxalin-1-yl)-4-(2-nitrophenyl)-2,3-dioxo-pentanoic acid CAS Name: 4-[7-(1-imidazolyl)-3,4-dihydro-2H-quinoxalin-1-yl]-4-(2-nitrophenyl)-2,3-dioxopentanoic acid IUPAC Name: 4-(7-imidazol-1-yl-3,4-dihydro-2H-quinoxalin-1-yl)-4-(2-nitrophenyl)-2,3-dioxopentanoic acid Traditional Name: 4-(7-imidazol-1-yl-3,4-dihydro-2H-quinoxalin-1-yl)-2,3-diketo-4-(2-nitrophenyl)valeric acid Formula: C22H19N5O6 MolecularWeight: 449.41616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1[N+](=O)[O-])(C(=O)C(=O)C(=O)O)N2CCNC3=C2C=C(C=C3)N4C=CN=C4

Isomeric SMILES

CC(C1=CC=CC=C1[N+](=O)[O-])(C(=O)C(=O)C(=O)O)N2CCNC3=C2C=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C22H19N5O6/c1-22(20(29)19(28)21(30)31,15-4-2-3-5-17(15)27(32)33)26-11-9-24-16-7-6-14(12-18(16)26)25-10-8-23-13-25/h2-8,10,12-13,24H,9,11H2,1H3,(H,30,31)