(4-oxidanylidene-4-thiophen-2-yl-butyl) 4-(methylamino)-3-nitro-benzoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 4-(methylamino)-3-nitro-benzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCCCC(=O)C2=CC=CS2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCCCC(=O)C2=CC=CS2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O5S/c1-17-12-7-6-11(10-13(12)18(21)22)16(20)23-8-2-4-14(19)15-5-3-9-24-15/h3,5-7,9-10,17H,2,4,8H2,1H3