[2-oxidanylidene-3-(phenethylcarbamoyl)chromen-7-yl] 3-nitrobenzoate

Systemtic Name: [2-oxidanylidene-3-(phenethylcarbamoyl)chromen-7-yl] 3-nitrobenzoate Openeye Name: [2-oxo-3-(phenethylcarbamoyl)chromen-7-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-3-[oxo-(phenethylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(phenethylcarbamoyl)chromen-7-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-3-(phenethylcarbamoyl)chromen-7-yl] ester Formula: C25H18N2O7 MolecularWeight: 458.41962

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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(=CC=C4)[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(=CC=C4)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C25H18N2O7/c28-23(26-12-11-16-5-2-1-3-6-16)21-14-17-9-10-20(15-22(17)34-25(21)30)33-24(29)18-7-4-8-19(13-18)27(31)32/h1-10,13-15H,11-12H2,(H,26,28)