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

Systemtic Name: 6-[[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2,4-dinitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]amino]methylene]-2,4-dinitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2,4-dinitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2,4-dinitrocyclohexa-2,4-dien-1-one Traditional Name: 2,4-dinitro-6-[[(2-p-phenetyl-1,3-benzoxazol-5-yl)amino]methylene]cyclohexa-2,4-dien-1-one Formula: C22H16N4O7 MolecularWeight: 448.38504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C22H16N4O7/c1-2-32-17-6-3-13(4-7-17)22-24-18-10-15(5-8-20(18)33-22)23-12-14-9-16(25(28)29)11-19(21(14)27)26(30)31/h3-12,23H,2H2,1H3