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

Systemtic Name: 1-[[3-(hydroxymethyl)-7-nitro-2-oxidanylidene-3,4-dihydro-1H-quinoxalin-5-yl]methyl]-3-phenyl-urea Openeye Name: 1-[[3-(hydroxymethyl)-7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl]methyl]-3-phenyl-urea CAS Name: 1-[[3-(hydroxymethyl)-7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl]methyl]-3-phenylurea IUPAC Name: 1-[[3-(hydroxymethyl)-7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl]methyl]-3-phenylurea Traditional Name: 1-[(2-keto-3-methylol-7-nitro-3,4-dihydro-1H-quinoxalin-5-yl)methyl]-3-phenyl-urea Formula: C17H17N5O5 MolecularWeight: 371.34738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O5/c23-9-14-16(24)21-13-7-12(22(26)27)6-10(15(13)20-14)8-18-17(25)19-11-4-2-1-3-5-11/h1-7,14,20,23H,8-9H2,(H,21,24)(H2,18,19,25)