ethyl (E)-3-[5-[(E)-3-azido-3-oxidanylidene-prop-1-enyl]-9,9-dimethyl-xanthen-4-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[5-[(E)-3-azido-3-oxidanylidene-prop-1-enyl]-9,9-dimethyl-xanthen-4-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[5-[(E)-3-azido-3-oxo-prop-1-enyl]-9,9-dimethyl-xanthen-4-yl]prop-2-enoate CAS Name: (E)-3-[5-[(E)-3-azido-3-oxoprop-1-enyl]-9,9-dimethyl-4-xanthenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[5-[(E)-3-azido-3-oxoprop-1-enyl]-9,9-dimethylxanthen-4-yl]prop-2-enoate Traditional Name: (E)-3-[5-[(E)-3-azido-3-keto-prop-1-enyl]-9,9-dimethyl-xanthen-4-yl]acrylic acid ethyl ester Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=C2C(=CC=C1)C(C3=CC=CC(=C3O2)C=CC(=O)N=[N+]=[N-])(C)C

Isomeric SMILES

CCOC(=O)/C=C/C1=C2C(=CC=C1)C(C3=CC=CC(=C3O2)/C=C/C(=O)N=[N+]=[N-])(C)C

InChI

InChI=1S/C23H21N3O4/c1-4-29-20(28)14-12-16-8-6-10-18-22(16)30-21-15(11-13-19(27)25-26-24)7-5-9-17(21)23(18,2)3/h5-14H,4H2,1-3H3/b13-11+,14-12+