(4-oxidanylidene-4-thiophen-2-yl-butyl) 2-[(3-nitrophenyl)carbonylamino]ethanoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 2-[(3-nitrophenyl)carbonylamino]ethanoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 2-[(3-nitrobenzoyl)amino]acetate CAS Name: 2-[[(3-nitrophenyl)-oxomethyl]amino]acetic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 2-[(3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-nitrobenzoyl)amino]acetic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C17H16N2O6S MolecularWeight: 376.38374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O6S/c20-14(15-7-3-9-26-15)6-2-8-25-16(21)11-18-17(22)12-4-1-5-13(10-12)19(23)24/h1,3-5,7,9-10H,2,6,8,11H2,(H,18,22)