[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-nitro-2-[(phenylmethyl)amino]benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C19H17N3O5 MolecularWeight: 367.35538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5/c1-2-10-20-18(23)13-27-19(24)16-11-15(22(25)26)8-9-17(16)21-12-14-6-4-3-5-7-14/h1,3-9,11,21H,10,12-13H2,(H,20,23)