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

Systemtic Name: 6-[[[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2,4-dinitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]amino]methylene]-2,4-dinitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2,4-dinitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2,4-dinitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]amino]methylene]-2,4-dinitro-cyclohexa-2,4-dien-1-one Formula: C22H17N5O6 MolecularWeight: 447.40028

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=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

CN(C)C1=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/C22H17N5O6/c1-25(2)16-6-3-13(4-7-16)22-24-18-10-15(5-8-20(18)33-22)23-12-14-9-17(26(29)30)11-19(21(14)28)27(31)32/h3-12,23H,1-2H3