ethyl (E)-3-[5-[(E)-2-isocyanatoethenyl]-9,9-dimethyl-xanthen-4-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[5-[(E)-2-isocyanatoethenyl]-9,9-dimethyl-xanthen-4-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[5-[(E)-2-isocyanatovinyl]-9,9-dimethyl-xanthen-4-yl]prop-2-enoate CAS Name: (E)-3-[5-[(E)-2-isocyanatoethenyl]-9,9-dimethyl-4-xanthenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[5-[(E)-2-isocyanatoethenyl]-9,9-dimethylxanthen-4-yl]prop-2-enoate Traditional Name: (E)-3-[5-[(E)-2-isocyanatovinyl]-9,9-dimethyl-xanthen-4-yl]acrylic acid ethyl ester Formula: C23H21NO4 MolecularWeight: 375.41714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=C2C(=CC=C1)C(C3=CC=CC(=C3O2)C=CN=C=O)(C)C

Isomeric SMILES

CCOC(=O)/C=C/C1=C2C(=CC=C1)C(C3=CC=CC(=C3O2)/C=C/N=C=O)(C)C

InChI

InChI=1S/C23H21NO4/c1-4-27-20(26)12-11-16-7-5-9-18-21(16)28-22-17(13-14-24-15-25)8-6-10-19(22)23(18,2)3/h5-14H,4H2,1-3H3/b12-11+,14-13+