methyl 3-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]azulene-1-carboxylate

Systemtic Name: methyl 3-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]azulene-1-carboxylate Openeye Name: methyl 3-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]azulene-1-carboxylate CAS Name: 3-[(E)-3-(3,4-dichlorophenyl)-1-oxoprop-2-enyl]-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]azulene-1-carboxylate Traditional Name: 3-[(E)-3-(3,4-dichlorophenyl)acryloyl]azulene-1-carboxylic acid methyl ester Formula: C21H14Cl2O3 MolecularWeight: 385.24006

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C=CC=CC=C2C(=C1)C(=O)C=CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=C2C=CC=CC=C2C(=C1)C(=O)/C=C/C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H14Cl2O3/c1-26-21(25)17-12-16(14-5-3-2-4-6-15(14)17)20(24)10-8-13-7-9-18(22)19(23)11-13/h2-12H,1H3/b10-8+