(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C21H16ClNO6 MolecularWeight: 413.80784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)/C=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C21H16ClNO6/c1-12-7-16-15(10-21(25)29-19(16)8-13(12)2)11-28-20(24)6-4-14-3-5-17(22)18(9-14)23(26)27/h3-10H,11H2,1-2H3/b6-4+