[3-(3-methoxypropylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 3,5-dinitrobenzoate

Systemtic Name: [3-(3-methoxypropylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 3,5-dinitrobenzoate Openeye Name: [3-(3-methoxypropylcarbamoyl)-2-oxo-chromen-7-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [3-[(3-methoxypropylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(3-methoxypropylcarbamoyl)-2-oxochromen-7-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-keto-3-(3-methoxypropylcarbamoyl)chromen-7-yl] ester Formula: C21H17N3O10 MolecularWeight: 471.37378

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC2=C(C=C(C=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC1=O

Isomeric SMILES

COCCCNC(=O)C1=CC2=C(C=C(C=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC1=O

InChI

InChI=1S/C21H17N3O10/c1-32-6-2-5-22-19(25)17-9-12-3-4-16(11-18(12)34-21(17)27)33-20(26)13-7-14(23(28)29)10-15(8-13)24(30)31/h3-4,7-11H,2,5-6H2,1H3,(H,22,25)