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

Systemtic Name: [2-oxidanylidene-3-(prop-2-enylcarbamoyl)chromen-7-yl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [3-(allylcarbamoyl)-2-oxo-chromen-7-yl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [2-oxo-3-[oxo-(prop-2-enylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(prop-2-enylcarbamoyl)chromen-7-yl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [3-(allylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C21H15N3O9 MolecularWeight: 453.3585

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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)NCC=C)[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)NCC=C)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O9/c1-3-6-22-19(25)15-7-12-4-5-14(10-18(12)33-21(15)27)32-20(26)13-8-16(23(28)29)11(2)17(9-13)24(30)31/h3-5,7-10H,1,6H2,2H3,(H,22,25)