[2-oxidanylidene-3-(prop-2-enylcarbamoyl)chromen-7-yl] 4-methyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-3-(prop-2-enylcarbamoyl)chromen-7-yl] 4-methyl-3-nitro-benzoate Openeye Name: [3-(allylcarbamoyl)-2-oxo-chromen-7-yl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-oxo-3-[oxo-(prop-2-enylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(prop-2-enylcarbamoyl)chromen-7-yl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [3-(allylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C21H16N2O7 MolecularWeight: 408.36094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCC=C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCC=C)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O7/c1-3-8-22-19(24)16-9-13-6-7-15(11-18(13)30-21(16)26)29-20(25)14-5-4-12(2)17(10-14)23(27)28/h3-7,9-11H,1,8H2,2H3,(H,22,24)