3-nitro-5-[(E)-oxidanyl-[3-(phenylmethyl)-1H-imidazol-2-ylidene]methyl]cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 3-nitro-5-[(E)-oxidanyl-[3-(phenylmethyl)-1H-imidazol-2-ylidene]methyl]cyclohexa-3,5-diene-1,2-dione Openeye Name: 5-[(E)-(3-benzyl-1H-imidazol-2-ylidene)-hydroxy-methyl]-3-nitro-1,2-benzoquinone CAS Name: 5-[(E)-hydroxy-[3-(phenylmethyl)-1H-imidazol-2-ylidene]methyl]-3-nitrocyclohexa-3,5-diene-1,2-dione IUPAC Name: 5-[(E)-(3-benzyl-1H-imidazol-2-ylidene)-hydroxymethyl]-3-nitrocyclohexa-3,5-diene-1,2-dione Traditional Name: 5-[(E)-(1-benzyl-4-imidazolin-2-ylidene)-hydroxy-methyl]-3-nitro-o-benzoquinone Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CNC2=C(C3=CC(=O)C(=O)C(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)CN\2C=CN/C2=C(/C3=CC(=O)C(=O)C(=C3)[N+](=O)[O-])\O

InChI

InChI=1S/C17H13N3O5/c21-14-9-12(8-13(16(14)23)20(24)25)15(22)17-18-6-7-19(17)10-11-4-2-1-3-5-11/h1-9,18,22H,10H2/b17-15+