[2-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid [2-oxo-2-[[(2R)-2-oxolanyl]methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid [2-keto-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl] ester Formula: C17H23N3O7 MolecularWeight: 381.38042

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2CCCO2)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)OCC(=O)NC[C@H]2CCCO2)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O7/c1-25-8-6-18-14-5-4-12(9-15(14)20(23)24)17(22)27-11-16(21)19-10-13-3-2-7-26-13/h4-5,9,13,18H,2-3,6-8,10-11H2,1H3,(H,19,21)/t13-/m1/s1