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

Systemtic Name: 6-[[[3-(1H-benzimidazol-2-yl)-4-chloranyl-phenyl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[3-(1H-benzimidazol-2-yl)-4-chloro-anilino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[3-(1H-benzimidazol-2-yl)-4-chloroanilino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[3-(1H-benzimidazol-2-yl)-4-chloroanilino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[3-(1H-benzimidazol-2-yl)-4-chloro-anilino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C20H13ClN4O3 MolecularWeight: 392.79522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C3=C(C=CC(=C3)NC=C4C=C(C=CC4=O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C3=C(C=CC(=C3)NC=C4C=C(C=CC4=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H13ClN4O3/c21-16-7-5-13(22-11-12-9-14(25(27)28)6-8-19(12)26)10-15(16)20-23-17-3-1-2-4-18(17)24-20/h1-11,22H,(H,23,24)