4-nitro-6-[1-[(5-nitro-2-oxidanyl-phenyl)methyl]-3-prop-2-ynyl-benzimidazol-2-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 4-nitro-6-[1-[(5-nitro-2-oxidanyl-phenyl)methyl]-3-prop-2-ynyl-benzimidazol-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[1-[(2-hydroxy-5-nitro-phenyl)methyl]-3-prop-2-ynyl-benzimidazol-2-ylidene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[1-[(2-hydroxy-5-nitrophenyl)methyl]-3-prop-2-ynyl-2-benzimidazolylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[1-[(2-hydroxy-5-nitrophenyl)methyl]-3-prop-2-ynylbenzimidazol-2-ylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[1-(2-hydroxy-5-nitro-benzyl)-3-propargyl-benzimidazol-2-ylidene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C23H16N4O6 MolecularWeight: 444.39634

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=CC=CC=C2N(C1=C3C=C(C=CC3=O)[N+](=O)[O-])CC4=C(C=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C#CCN1C2=CC=CC=C2N(C1=C3C=C(C=CC3=O)[N+](=O)[O-])CC4=C(C=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C23H16N4O6/c1-2-11-24-19-5-3-4-6-20(19)25(14-15-12-16(26(30)31)7-9-21(15)28)23(24)18-13-17(27(32)33)8-10-22(18)29/h1,3-10,12-13,28H,11,14H2