6-[[[2-(hydroxymethyl)benzimidazol-1-yl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[2-(hydroxymethyl)benzimidazol-1-yl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[2-(hydroxymethyl)benzimidazol-1-yl]amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[2-(hydroxymethyl)-1-benzimidazolyl]amino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[2-(hydroxymethyl)benzimidazol-1-yl]amino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[(2-methylolbenzimidazol-1-yl)amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C15H12N4O4 MolecularWeight: 312.28018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2NC=C3C=C(C=CC3=O)[N+](=O)[O-])CO

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2NC=C3C=C(C=CC3=O)[N+](=O)[O-])CO

InChI

InChI=1S/C15H12N4O4/c20-9-15-17-12-3-1-2-4-13(12)18(15)16-8-10-7-11(19(22)23)5-6-14(10)21/h1-8,16,20H,9H2