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

Systemtic Name: [2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 3-thiophen-3-ylpropanoate Openeye Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxo-ethyl] 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic acid [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-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=CC(=CC=C1NCCNC(=O)COC(=O)CCC2=CSC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NCCNC(=O)COC(=O)CCC2=CSC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O5S/c21-16(11-25-17(22)6-1-13-7-10-26-12-13)19-9-8-18-14-2-4-15(5-3-14)20(23)24/h2-5,7,10,12,18H,1,6,8-9,11H2,(H,19,21)