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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20N2O7/c1-15-8-9-19(13-22(15)28(32)33)25(30)34-20-11-10-18-12-21(26(31)35-23(18)14-20)24(29)27-16(2)17-6-4-3-5-7-17/h3-14,16H,1-2H3,(H,27,29)