[3-(furan-2-ylmethylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-methyl-3,5-dinitro-benzoate

Systemtic Name: [3-(furan-2-ylmethylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [3-(2-furylmethylcarbamoyl)-2-oxo-chromen-7-yl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [3-[(2-furanylmethylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [3-(2-furfurylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C23H15N3O10 MolecularWeight: 493.3793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCC4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCC4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C23H15N3O10/c1-12-18(25(30)31)8-14(9-19(12)26(32)33)22(28)35-15-5-4-13-7-17(23(29)36-20(13)10-15)21(27)24-11-16-3-2-6-34-16/h2-10H,11H2,1H3,(H,24,27)