[2-oxidanylidene-3-(propylcarbamoyl)chromen-7-yl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-3-(propylcarbamoyl)chromen-7-yl] 4-chloranyl-3-nitro-benzoate Openeye Name: [2-oxo-3-(propylcarbamoyl)chromen-7-yl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2-oxo-3-[oxo(propylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(propylcarbamoyl)chromen-7-yl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-keto-3-(propylcarbamoyl)chromen-7-yl] ester Formula: C20H15ClN2O7 MolecularWeight: 430.7953

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C(C=C2)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])OC1=O

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C(C=C2)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C20H15ClN2O7/c1-2-7-22-18(24)14-8-11-3-5-13(10-17(11)30-20(14)26)29-19(25)12-4-6-15(21)16(9-12)23(27)28/h3-6,8-10H,2,7H2,1H3,(H,22,24)