[1-(4-nitrophenyl)-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] prop-2-ynoate

Systemtic Name: [1-(4-nitrophenyl)-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] prop-2-ynoate Openeye Name: [2-(benzylamino)-1-(4-nitrophenyl)-2-oxo-ethyl] prop-2-ynoate CAS Name: 2-propynoic acid [1-(4-nitrophenyl)-2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-1-(4-nitrophenyl)-2-oxoethyl] prop-2-ynoate Traditional Name: propiolic acid [2-(benzylamino)-2-keto-1-(4-nitrophenyl)ethyl] ester Formula: C18H14N2O5 MolecularWeight: 338.31416

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(=O)OC(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC=CC=C2

Isomeric SMILES

C#CC(=O)OC(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H14N2O5/c1-2-16(21)25-17(14-8-10-15(11-9-14)20(23)24)18(22)19-12-13-6-4-3-5-7-13/h1,3-11,17H,12H2,(H,19,22)