O1-ethyl O3-[4-(thiophen-2-ylcarbonylamino)phenyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[4-(thiophen-2-ylcarbonylamino)phenyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[4-(thiophene-2-carbonylamino)phenyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: 1-O-ethyl 3-O-[4-(thiophene-2-carbonylamino)phenyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[4-(2-thenoylamino)phenyl] ester Formula: C21H16N2O7S MolecularWeight: 440.42594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O7S/c1-2-29-20(25)13-10-14(12-16(11-13)23(27)28)21(26)30-17-7-5-15(6-8-17)22-19(24)18-4-3-9-31-18/h3-12H,2H2,1H3,(H,22,24)