1,3-benzoxazol-2-ylmethyl 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: 1,3-benzoxazol-2-ylmethyl 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: 1,3-benzoxazol-2-ylmethyl 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid 1,3-benzoxazol-2-ylmethyl ester Formula: C18H17N3O6 MolecularWeight: 371.34408

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3O2)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3O2)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O6/c1-25-9-8-19-13-7-6-12(10-15(13)21(23)24)18(22)26-11-17-20-14-4-2-3-5-16(14)27-17/h2-7,10,19H,8-9,11H2,1H3