(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C23H21NO6 MolecularWeight: 407.41594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C23H21NO6/c1-14(2)19-12-20-17(11-23(26)30-21(20)9-15(19)3)13-29-22(25)8-7-16-5-4-6-18(10-16)24(27)28/h4-12,14H,13H2,1-3H3/b8-7+