methyl 4-[2,6-bis(oxidanylidene)cyclohexylidene]-4-[(4-nitrophenyl)amino]butanoate

Systemtic Name: methyl 4-[2,6-bis(oxidanylidene)cyclohexylidene]-4-[(4-nitrophenyl)amino]butanoate Openeye Name: methyl 4-(2,6-dioxocyclohexylidene)-4-(4-nitroanilino)butanoate CAS Name: 4-(2,6-dioxocyclohexylidene)-4-(4-nitroanilino)butanoic acid methyl ester IUPAC Name: methyl 4-(2,6-dioxocyclohexylidene)-4-(4-nitroanilino)butanoate Traditional Name: 4-(2,6-diketocyclohexylidene)-4-(4-nitroanilino)butyric acid methyl ester Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=C1C(=O)CCCC1=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCC(=C1C(=O)CCCC1=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6/c1-25-16(22)10-9-13(17-14(20)3-2-4-15(17)21)18-11-5-7-12(8-6-11)19(23)24/h5-8,18H,2-4,9-10H2,1H3