[2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 3-thiophen-2-ylpropanoate

Systemtic Name: [2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 3-thiophen-2-ylpropanoate Openeye Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxo-ethyl] 3-(2-thienyl)propanoate CAS Name: 3-thiophen-2-ylpropanoic acid [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] 3-thiophen-2-ylpropanoate Traditional Name: 3-(2-thienyl)propionic acid [2-keto-2-[2-(4-nitroanilino)ethylamino]ethyl] ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCC(=O)OCC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)CCC(=O)OCC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O5S/c21-16(12-25-17(22)8-7-15-2-1-11-26-15)19-10-9-18-13-3-5-14(6-4-13)20(23)24/h1-6,11,18H,7-10,12H2,(H,19,21)