4-[[(4-chloranyl-3-nitro-phenyl)amino]methylidene]-2-(4-ethoxyphenyl)isoquinoline-1,3-dione

Systemtic Name: 4-[[(4-chloranyl-3-nitro-phenyl)amino]methylidene]-2-(4-ethoxyphenyl)isoquinoline-1,3-dione Openeye Name: 4-[(4-chloro-3-nitro-anilino)methylene]-2-(4-ethoxyphenyl)isoquinoline-1,3-dione CAS Name: 4-[(4-chloro-3-nitroanilino)methylidene]-2-(4-ethoxyphenyl)isoquinoline-1,3-dione IUPAC Name: 4-[(4-chloro-3-nitroanilino)methylidene]-2-(4-ethoxyphenyl)isoquinoline-1,3-dione Traditional Name: 4-[(4-chloro-3-nitro-anilino)methylene]-2-p-phenetyl-isoquinoline-1,3-quinone Formula: C24H18ClN3O5 MolecularWeight: 463.86982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=CC(=C(C=C4)Cl)[N+](=O)[O-])C2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=CC(=C(C=C4)Cl)[N+](=O)[O-])C2=O

InChI

InChI=1S/C24H18ClN3O5/c1-2-33-17-10-8-16(9-11-17)27-23(29)19-6-4-3-5-18(19)20(24(27)30)14-26-15-7-12-21(25)22(13-15)28(31)32/h3-14,26H,2H2,1H3