(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C21H17NO6 MolecularWeight: 379.36278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H17NO6/c1-13-6-8-18-16(11-20(24)28-21(18)14(13)2)12-27-19(23)9-7-15-4-3-5-17(10-15)22(25)26/h3-11H,12H2,1-2H3/b9-7+