diethyl 6-(4-nitrophenyl)azulene-1,3-dicarboxylate

Systemtic Name: diethyl 6-(4-nitrophenyl)azulene-1,3-dicarboxylate Openeye Name: diethyl 6-(4-nitrophenyl)azulene-1,3-dicarboxylate CAS Name: 6-(4-nitrophenyl)azulene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 6-(4-nitrophenyl)azulene-1,3-dicarboxylate Traditional Name: 6-(4-nitrophenyl)azulene-1,3-dicarboxylic acid diethyl ester Formula: C22H19NO6 MolecularWeight: 393.38936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C2C1=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=C2C1=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C22H19NO6/c1-3-28-21(24)19-13-20(22(25)29-4-2)18-12-8-15(7-11-17(18)19)14-5-9-16(10-6-14)23(26)27/h5-13H,3-4H2,1-2H3