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

Systemtic Name: 6-[[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]amino]methylidene]-2,4-dinitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-anilino]methylene]-2,4-dinitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[5-(1,3-benzoxazol-2-yl)-2-methoxyanilino]methylidene]-2,4-dinitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[5-(1,3-benzoxazol-2-yl)-2-methoxyanilino]methylidene]-2,4-dinitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-anilino]methylene]-2,4-dinitro-cyclohexa-2,4-dien-1-one Formula: C21H14N4O7 MolecularWeight: 434.35846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC=C4C=C(C=C(C4=O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC=C4C=C(C=C(C4=O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O7/c1-31-18-7-6-12(21-23-15-4-2-3-5-19(15)32-21)9-16(18)22-11-13-8-14(24(27)28)10-17(20(13)26)25(29)30/h2-11,22H,1H3