4-(2-chloranyl-3-methanoyl-4-nitro-phenoxy)butyl ethanoate

Systemtic Name: 4-(2-chloranyl-3-methanoyl-4-nitro-phenoxy)butyl ethanoate Openeye Name: 4-(2-chloro-3-formyl-4-nitro-phenoxy)butyl acetate CAS Name: acetic acid 4-(2-chloro-3-formyl-4-nitrophenoxy)butyl ester IUPAC Name: 4-(2-chloro-3-formyl-4-nitrophenoxy)butyl acetate Traditional Name: acetic acid 4-(2-chloro-3-formyl-4-nitro-phenoxy)butyl ester Formula: C13H14ClNO6 MolecularWeight: 315.70636

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCOC1=C(C(=C(C=C1)[N+](=O)[O-])C=O)Cl

Isomeric SMILES

CC(=O)OCCCCOC1=C(C(=C(C=C1)[N+](=O)[O-])C=O)Cl

InChI

InChI=1S/C13H14ClNO6/c1-9(17)20-6-2-3-7-21-12-5-4-11(15(18)19)10(8-16)13(12)14/h4-5,8H,2-3,6-7H2,1H3