O1-ethyl O3-[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-keto-2-[(1-methylpyrrole-2-carbonyl)amino]ethyl] ester Formula: C18H17N3O8 MolecularWeight: 403.34288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC(=O)C2=CC=CN2C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC(=O)C2=CC=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O8/c1-3-28-17(24)11-7-12(9-13(8-11)21(26)27)18(25)29-10-15(22)19-16(23)14-5-4-6-20(14)2/h4-9H,3,10H2,1-2H3,(H,19,22,23)