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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C20H14ClNO6 MolecularWeight: 399.78126

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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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClNO6/c1-12-7-18-16(10-17(12)21)14(9-20(24)28-18)11-27-19(23)6-5-13-3-2-4-15(8-13)22(25)26/h2-10H,11H2,1H3/b6-5+