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

Systemtic Name: [3-(3-methoxypropylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-methyl-3-nitro-benzoate Openeye Name: [3-(3-methoxypropylcarbamoyl)-2-oxo-chromen-7-yl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [3-[(3-methoxypropylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(3-methoxypropylcarbamoyl)-2-oxochromen-7-yl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-keto-3-(3-methoxypropylcarbamoyl)chromen-7-yl] ester Formula: C22H20N2O8 MolecularWeight: 440.4028

Click to see the large picture

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)NCCCOC)[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)NCCCOC)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O8/c1-13-4-5-15(11-18(13)24(28)29)21(26)31-16-7-6-14-10-17(22(27)32-19(14)12-16)20(25)23-8-3-9-30-2/h4-7,10-12H,3,8-9H2,1-2H3,(H,23,25)