2-bromanyl-6-[[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 2-bromanyl-6-[[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 2-bromo-4-nitro-6-[[[2-(p-tolyl)-1,3-benzoxazol-5-yl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 2-bromo-6-[[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 2-bromo-6-[[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 2-bromo-4-nitro-6-[[[2-(p-tolyl)-1,3-benzoxazol-5-yl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C21H14BrN3O4 MolecularWeight: 452.25756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC=C4C=C(C=C(C4=O)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC=C4C=C(C=C(C4=O)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H14BrN3O4/c1-12-2-4-13(5-3-12)21-24-18-9-15(6-7-19(18)29-21)23-11-14-8-16(25(27)28)10-17(22)20(14)26/h2-11,23H,1H3