(4-oxidanylidene-4-thiophen-2-yl-butyl) 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C18H19NO7S MolecularWeight: 393.41096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCCCC(=O)C2=CC=CS2)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCCCC(=O)C2=CC=CS2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H19NO7S/c1-3-25-16-10-12(13(19(22)23)11-15(16)24-2)18(21)26-8-4-6-14(20)17-7-5-9-27-17/h5,7,9-11H,3-4,6,8H2,1-2H3