(6E)-2-bromanyl-6-[[(1-hexylbenzimidazol-2-yl)amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-2-bromanyl-6-[[(1-hexylbenzimidazol-2-yl)amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-2-bromo-6-[[(1-hexylbenzimidazol-2-yl)amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6E)-2-bromo-6-[[(1-hexyl-2-benzimidazolyl)amino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-2-bromo-6-[[(1-hexylbenzimidazol-2-yl)amino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6E)-2-bromo-6-[[(1-hexylbenzimidazol-2-yl)amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C20H21BrN4O3 MolecularWeight: 445.30974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1NC=C3C=C(C=C(C3=O)Br)[N+](=O)[O-]

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1N/C=C/3\C=C(C=C(C3=O)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H21BrN4O3/c1-2-3-4-7-10-24-18-9-6-5-8-17(18)23-20(24)22-13-14-11-15(25(27)28)12-16(21)19(14)26/h5-6,8-9,11-13H,2-4,7,10H2,1H3,(H,22,23)/b14-13+