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

Systemtic Name: 6-[[[3-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[3-(5-chloro-1,3-benzoxazol-2-yl)anilino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[3-(5-chloro-1,3-benzoxazol-2-yl)anilino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[3-(5-chloro-1,3-benzoxazol-2-yl)anilino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[3-(5-chloro-1,3-benzoxazol-2-yl)anilino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C20H12ClN3O4 MolecularWeight: 393.77998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC=C2C=C(C=CC2=O)[N+](=O)[O-])C3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1=CC(=CC(=C1)NC=C2C=C(C=CC2=O)[N+](=O)[O-])C3=NC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C20H12ClN3O4/c21-14-4-7-19-17(10-14)23-20(28-19)12-2-1-3-15(8-12)22-11-13-9-16(24(26)27)5-6-18(13)25/h1-11,22H