O1-ethyl O3-[2-[[4-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[2-[[4-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-[4-(methylcarbamoyl)anilino]-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-keto-2-[4-(methylcarbamoyl)anilino]ethyl] ester Formula: C20H19N3O8 MolecularWeight: 429.38016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O8/c1-3-30-19(26)13-8-14(10-16(9-13)23(28)29)20(27)31-11-17(24)22-15-6-4-12(5-7-15)18(25)21-2/h4-10H,3,11H2,1-2H3,(H,21,25)(H,22,24)