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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=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/c26-21-9-7-17(28(32)33)13-19(21)24(30)34-18-8-6-16-12-20(25(31)35-22(16)14-18)23(29)27-11-10-15-4-2-1-3-5-15/h1-9,12-14H,10-11H2,(H,27,29)