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

Systemtic Name: [2-oxidanylidene-3-(phenethylcarbamoyl)chromen-7-yl] 3-methyl-4-nitro-benzoate Openeye Name: [2-oxo-3-(phenethylcarbamoyl)chromen-7-yl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-oxo-3-[oxo-(phenethylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(phenethylcarbamoyl)chromen-7-yl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-keto-3-(phenethylcarbamoyl)chromen-7-yl] ester Formula: C26H20N2O7 MolecularWeight: 472.4462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H20N2O7/c1-16-13-19(8-10-22(16)28(32)33)25(30)34-20-9-7-18-14-21(26(31)35-23(18)15-20)24(29)27-12-11-17-5-3-2-4-6-17/h2-10,13-15H,11-12H2,1H3,(H,27,29)