[2-oxidanylidene-3-(1-phenylethylcarbamoyl)chromen-7-yl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-3-(1-phenylethylcarbamoyl)chromen-7-yl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-oxo-3-(1-phenylethylcarbamoyl)chromen-7-yl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-oxo-3-[oxo-(1-phenylethylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(1-phenylethylcarbamoyl)chromen-7-yl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-keto-3-(1-phenylethylcarbamoyl)chromen-7-yl] ester Formula: C25H17ClN2O7 MolecularWeight: 492.86468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C(C=C3)OC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)OC2=O

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C(C=C3)OC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)OC2=O

InChI

InChI=1S/C25H17ClN2O7/c1-14(15-5-3-2-4-6-15)27-23(29)20-11-16-7-9-18(13-22(16)35-25(20)31)34-24(30)19-12-17(28(32)33)8-10-21(19)26/h2-14H,1H3,(H,27,29)