[5-(diethylamino)-2-methanoyl-phenyl] 3,5-dinitrobenzoate

Systemtic Name: [5-(diethylamino)-2-methanoyl-phenyl] 3,5-dinitrobenzoate Openeye Name: [5-(diethylamino)-2-formyl-phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [5-(diethylamino)-2-formylphenyl] ester IUPAC Name: [5-(diethylamino)-2-formylphenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [5-(diethylamino)-2-formyl-phenyl] ester Formula: C18H17N3O7 MolecularWeight: 387.34348

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C=O)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C=O)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O7/c1-3-19(4-2)14-6-5-12(11-22)17(10-14)28-18(23)13-7-15(20(24)25)9-16(8-13)21(26)27/h5-11H,3-4H2,1-2H3