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

Systemtic Name: 6-[[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2,4-dinitro-cyclohexa-2,4-dien-1-one Openeye Name: 2,4-dinitro-6-[[[2-(p-tolyl)-1,3-benzoxazol-5-yl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2,4-dinitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2,4-dinitrocyclohexa-2,4-dien-1-one Traditional Name: 2,4-dinitro-6-[[[2-(p-tolyl)-1,3-benzoxazol-5-yl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C21H14N4O6 MolecularWeight: 418.35906

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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)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H14N4O6/c1-12-2-4-13(5-3-12)21-23-17-9-15(6-7-19(17)31-21)22-11-14-8-16(24(27)28)10-18(20(14)26)25(29)30/h2-11,22H,1H3