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

Systemtic Name: 4-bromanyl-6-[[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 4-bromo-2-nitro-6-[[[2-(o-tolyl)-1,3-benzoxazol-5-yl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 4-bromo-6-[[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 4-bromo-6-[[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 4-bromo-2-nitro-6-[[[2-(o-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=CC=C1C2=NC3=C(O2)C=CC(=C3)NC=C4C=C(C=C(C4=O)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)NC=C4C=C(C=C(C4=O)[N+](=O)[O-])Br

InChI

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