[2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] (E)-3-thiophen-3-ylprop-2-enoate

Systemtic Name: [2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] (E)-3-thiophen-3-ylprop-2-enoate Openeye Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxo-ethyl] (E)-3-(3-thienyl)prop-2-enoate CAS Name: (E)-3-(3-thiophenyl)-2-propenoic acid [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate Traditional Name: (E)-3-(3-thienyl)acrylic acid [2-keto-2-[2-(4-nitroanilino)ethylamino]ethyl] ester Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCCNC(=O)COC(=O)C=CC2=CSC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O5S/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/h1-7,10,12,18H,8-9,11H2,(H,19,21)/b6-1+