[2-oxidanylidene-3-(1-phenylethylcarbamoyl)chromen-7-yl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-3-(1-phenylethylcarbamoyl)chromen-7-yl] 4-chloranyl-3-nitro-benzoate Openeye Name: [2-oxo-3-(1-phenylethylcarbamoyl)chromen-7-yl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2-oxo-3-[oxo-(1-phenylethylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(1-phenylethylcarbamoyl)chromen-7-yl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-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=CC(=C(C=C4)Cl)[N+](=O)[O-])OC2=O

Isomeric SMILES

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

InChI

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