[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: [5-(2-furyl)isoxazol-3-yl]methyl 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid [5-(2-furanyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid [5-(2-furyl)isoxazol-3-yl]methyl ester Formula: C18H17N3O7 MolecularWeight: 387.34348

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)OCC2=NOC(=C2)C3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)OCC2=NOC(=C2)C3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O7/c1-25-8-6-19-14-5-4-12(9-15(14)21(23)24)18(22)27-11-13-10-17(28-20-13)16-3-2-7-26-16/h2-5,7,9-10,19H,6,8,11H2,1H3