N-[[3-(hydroxymethyl)-7-nitro-2-oxidanylidene-3,4-dihydro-1H-quinoxalin-5-yl]methyl]benzamide

Systemtic Name: N-[[3-(hydroxymethyl)-7-nitro-2-oxidanylidene-3,4-dihydro-1H-quinoxalin-5-yl]methyl]benzamide Openeye Name: N-[[3-(hydroxymethyl)-7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl]methyl]benzamide CAS Name: N-[[3-(hydroxymethyl)-7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl]methyl]benzamide IUPAC Name: N-[[3-(hydroxymethyl)-7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl]methyl]benzamide Traditional Name: N-[(2-keto-3-methylol-7-nitro-3,4-dihydro-1H-quinoxalin-5-yl)methyl]benzamide Formula: C17H16N4O5 MolecularWeight: 356.33274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC2=CC(=CC3=C2NC(C(=O)N3)CO)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC2=CC(=CC3=C2NC(C(=O)N3)CO)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O5/c22-9-14-17(24)20-13-7-12(21(25)26)6-11(15(13)19-14)8-18-16(23)10-4-2-1-3-5-10/h1-7,14,19,22H,8-9H2,(H,18,23)(H,20,24)