[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 4-(ethylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 4-(ethylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl] 4-(ethylamino)-3-nitro-benzoate CAS Name: 4-(ethylamino)-3-nitrobenzoic acid [2-oxo-2-(2-oxolanylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-(ethylamino)-3-nitrobenzoate Traditional Name: 4-(ethylamino)-3-nitro-benzoic acid [2-keto-2-(tetrahydrofurfurylamino)ethyl] ester Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2CCCO2)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2CCCO2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O6/c1-2-17-13-6-5-11(8-14(13)19(22)23)16(21)25-10-15(20)18-9-12-4-3-7-24-12/h5-6,8,12,17H,2-4,7,9-10H2,1H3,(H,18,20)