[2-oxidanylidene-3-(propan-2-ylcarbamoyl)chromen-7-yl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-oxidanylidene-3-(propan-2-ylcarbamoyl)chromen-7-yl] 3-methyl-4-nitro-benzoate Openeye Name: [3-(isopropylcarbamoyl)-2-oxo-chromen-7-yl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-oxo-3-[oxo-(propan-2-ylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [3-(isopropylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C21H18N2O7 MolecularWeight: 410.37682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O7/c1-11(2)22-19(24)16-9-13-4-6-15(10-18(13)30-21(16)26)29-20(25)14-5-7-17(23(27)28)12(3)8-14/h4-11H,1-3H3,(H,22,24)