6-[[3-[(2-chloranyl-4-nitro-phenyl)amino]propylamino]methylidene]-4-iodanyl-2-methyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[3-[(2-chloranyl-4-nitro-phenyl)amino]propylamino]methylidene]-4-iodanyl-2-methyl-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[3-(2-chloro-4-nitro-anilino)propylamino]methylene]-4-iodo-2-methyl-cyclohexa-2,4-dien-1-one CAS Name: 6-[[3-(2-chloro-4-nitroanilino)propylamino]methylidene]-4-iodo-2-methyl-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[3-(2-chloro-4-nitroanilino)propylamino]methylidene]-4-iodo-2-methylcyclohexa-2,4-dien-1-one Traditional Name: 6-[[3-(2-chloro-4-nitro-anilino)propylamino]methylene]-4-iodo-2-methyl-cyclohexa-2,4-dien-1-one Formula: C17H17ClIN3O3 MolecularWeight: 473.69265

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=CNCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C1=O)I

Isomeric SMILES

CC1=CC(=CC(=CNCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C1=O)I

InChI

InChI=1S/C17H17ClIN3O3/c1-11-7-13(19)8-12(17(11)23)10-20-5-2-6-21-16-4-3-14(22(24)25)9-15(16)18/h3-4,7-10,20-21H,2,5-6H2,1H3