N-(2-tert-butyl-6-methyl-phenyl)-3-nitro-2-oxidanylidene-3-quinoxalin-2-yl-propanamide

Systemtic Name: N-(2-tert-butyl-6-methyl-phenyl)-3-nitro-2-oxidanylidene-3-quinoxalin-2-yl-propanamide Openeye Name: N-(2-tert-butyl-6-methyl-phenyl)-3-nitro-2-oxo-3-quinoxalin-2-yl-propanamide CAS Name: N-(2-tert-butyl-6-methylphenyl)-3-nitro-2-oxo-3-(2-quinoxalinyl)propanamide IUPAC Name: N-(2-tert-butyl-6-methylphenyl)-3-nitro-2-oxo-3-quinoxalin-2-ylpropanamide Traditional Name: N-(2-tert-butyl-6-methyl-phenyl)-2-keto-3-nitro-3-quinoxalin-2-yl-propionamide Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)C(=O)C(C2=NC3=CC=CC=C3N=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)C(=O)C(C2=NC3=CC=CC=C3N=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4/c1-13-8-7-9-14(22(2,3)4)18(13)25-21(28)20(27)19(26(29)30)17-12-23-15-10-5-6-11-16(15)24-17/h5-12,19H,1-4H3,(H,25,28)