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

Systemtic Name: [2-oxidanylidene-3-(propan-2-ylcarbamoyl)chromen-7-yl] 3,5-dinitrobenzoate Openeye Name: [3-(isopropylcarbamoyl)-2-oxo-chromen-7-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-oxo-3-[oxo-(propan-2-ylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [3-(isopropylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C20H15N3O9 MolecularWeight: 441.3478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)NC(=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/C20H15N3O9/c1-10(2)21-18(24)16-7-11-3-4-15(9-17(11)32-20(16)26)31-19(25)12-5-13(22(27)28)8-14(6-12)23(29)30/h3-10H,1-2H3,(H,21,24)