ethyl 3-(3,5-dimethyl-4-nitro-phenyl)-6-methyl-azulene-1-carboxylate

Systemtic Name: ethyl 3-(3,5-dimethyl-4-nitro-phenyl)-6-methyl-azulene-1-carboxylate Openeye Name: ethyl 3-(3,5-dimethyl-4-nitro-phenyl)-6-methyl-azulene-1-carboxylate CAS Name: 3-(3,5-dimethyl-4-nitrophenyl)-6-methyl-1-azulenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(3,5-dimethyl-4-nitrophenyl)-6-methylazulene-1-carboxylate Traditional Name: 3-(3,5-dimethyl-4-nitro-phenyl)-6-methyl-azulene-1-carboxylic acid ethyl ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO4/c1-5-27-22(24)20-12-19(17-8-6-13(2)7-9-18(17)20)16-10-14(3)21(23(25)26)15(4)11-16/h6-12H,5H2,1-4H3