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

Systemtic Name: [2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxo-ethyl] 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid [2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid [2-keto-2-[(1-methylpyrrole-2-carbonyl)amino]ethyl] ester Formula: C18H18N4O7 MolecularWeight: 402.35812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC=C1C(=O)NC(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O7/c1-21-10-2-3-14(21)18(26)20-15(23)11-29-16(24)8-9-19-17(25)12-4-6-13(7-5-12)22(27)28/h2-7,10H,8-9,11H2,1H3,(H,19,25)(H,20,23,26)