O3-[2-[[2-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-[[2-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[2-[(cyclopropylamino)-oxomethyl]anilino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[2-(cyclopropylcarbamoyl)anilino]-2-keto-ethyl] ester O1-methyl ester Formula: C21H19N3O8 MolecularWeight: 441.39086

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=CC=C2C(=O)NC3CC3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=CC=C2C(=O)NC3CC3

InChI

InChI=1S/C21H19N3O8/c1-31-20(27)12-8-13(10-15(9-12)24(29)30)21(28)32-11-18(25)23-17-5-3-2-4-16(17)19(26)22-14-6-7-14/h2-5,8-10,14H,6-7,11H2,1H3,(H,22,26)(H,23,25)