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

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

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=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/c26-20-9-7-17(13-21(20)28(32)33)24(30)34-18-8-6-16-12-19(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)