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

Systemtic Name: O3-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(3-cyanoanilino)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(3-cyanoanilino)-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-(3-cyanoanilino)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(3-cyanoanilino)-2-keto-ethyl] ester O1-methyl ester Formula: C18H13N3O7 MolecularWeight: 383.31172

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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(=C2)C#N

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C18H13N3O7/c1-27-17(23)12-6-13(8-15(7-12)21(25)26)18(24)28-10-16(22)20-14-4-2-3-11(5-14)9-19/h2-8H,10H2,1H3,(H,20,22)