[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C15H15N3O5S MolecularWeight: 349.3617

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CS2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CS2)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O5S/c1-16-12-5-4-10(7-13(12)18(21)22)15(20)23-9-14(19)17-8-11-3-2-6-24-11/h2-7,16H,8-9H2,1H3,(H,17,19)