(3,4-dichlorophenyl)methyl 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate

Systemtic Name: (3,4-dichlorophenyl)methyl 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate Openeye Name: (3,4-dichlorophenyl)methyl 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoic acid (3,4-dichlorophenyl)methyl ester IUPAC Name: (3,4-dichlorophenyl)methyl 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyric acid (3,4-dichlorobenzyl) ester Formula: C18H14Cl2N2O6 MolecularWeight: 425.21956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1COC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1COC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)Cl)Cl

InChI

InChI=1S/C18H14Cl2N2O6/c19-13-5-3-11(8-14(13)20)10-27-17(23)2-1-7-21-15-6-4-12(22(25)26)9-16(15)28-18(21)24/h3-6,8-9H,1-2,7,10H2