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

Systemtic Name: O3-[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(4-carbamoylanilino)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(4-carbamoylanilino)-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-(4-carbamoylanilino)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(4-carbamoylanilino)-2-keto-ethyl] ester O1-methyl ester Formula: C18H15N3O8 MolecularWeight: 401.327

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O8/c1-28-17(24)11-6-12(8-14(7-11)21(26)27)18(25)29-9-15(22)20-13-4-2-10(3-5-13)16(19)23/h2-8H,9H2,1H3,(H2,19,23)(H,20,22)