(4-nitrophenyl)methyl 2-ethyl-1-methoxy-3-oxidanylidene-azulene-3a-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-ethyl-1-methoxy-3-oxidanylidene-azulene-3a-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-ethyl-1-methoxy-3-oxo-azulene-3a-carboxylate CAS Name: 2-ethyl-1-methoxy-3-oxo-3a-azulenecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-ethyl-1-methoxy-3-oxoazulene-3a-carboxylate Traditional Name: 2-ethyl-3-keto-1-methoxy-azulene-3a-carboxylic acid (4-nitrobenzyl) ester Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=CC2(C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCC1=C(C2=CC=CC=CC2(C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H19NO6/c1-3-16-18(27-2)17-7-5-4-6-12-21(17,19(16)23)20(24)28-13-14-8-10-15(11-9-14)22(25)26/h4-12H,3,13H2,1-2H3