[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C16H15N3O6 MolecularWeight: 345.3068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O6/c20-14(13-2-1-8-17-13)10-25-15(21)7-9-18-16(22)11-3-5-12(6-4-11)19(23)24/h1-6,8,17H,7,9-10H2,(H,18,22)