[5-(diethylamino)-2-methanoyl-phenyl] 3-nitrobenzoate

Systemtic Name: [5-(diethylamino)-2-methanoyl-phenyl] 3-nitrobenzoate Openeye Name: [5-(diethylamino)-2-formyl-phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [5-(diethylamino)-2-formylphenyl] ester IUPAC Name: [5-(diethylamino)-2-formylphenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [5-(diethylamino)-2-formyl-phenyl] ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5/c1-3-19(4-2)15-9-8-14(12-21)17(11-15)25-18(22)13-6-5-7-16(10-13)20(23)24/h5-12H,3-4H2,1-2H3