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

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: (7-acetamido-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 (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-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 (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C21H15ClN2O7 MolecularWeight: 442.806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)/C=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H15ClN2O7/c1-12(25)23-15-4-5-16-14(9-21(27)31-19(16)10-15)11-30-20(26)7-3-13-2-6-17(22)18(8-13)24(28)29/h2-10H,11H2,1H3,(H,23,25)/b7-3+