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

Systemtic Name: 6-[[3-[(4-chloranyl-2-nitro-phenyl)amino]propylamino]methylidene]-4-methyl-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[3-(4-chloro-2-nitro-anilino)propylamino]methylene]-4-methyl-cyclohexa-2,4-dien-1-one CAS Name: 6-[[3-(4-chloro-2-nitroanilino)propylamino]methylidene]-4-methyl-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[3-(4-chloro-2-nitroanilino)propylamino]methylidene]-4-methylcyclohexa-2,4-dien-1-one Traditional Name: 6-[[3-(4-chloro-2-nitro-anilino)propylamino]methylene]-4-methyl-cyclohexa-2,4-dien-1-one Formula: C17H18ClN3O3 MolecularWeight: 347.79612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O3/c1-12-3-6-17(22)13(9-12)11-19-7-2-8-20-15-5-4-14(18)10-16(15)21(23)24/h3-6,9-11,19-20H,2,7-8H2,1H3