methyl 2-[3-nitro-4-(oxolan-2-ylmethylamino)phenyl]carbonylbenzoate

Systemtic Name: methyl 2-[3-nitro-4-(oxolan-2-ylmethylamino)phenyl]carbonylbenzoate Openeye Name: methyl 2-[3-nitro-4-(tetrahydrofuran-2-ylmethylamino)benzoyl]benzoate CAS Name: 2-[[3-nitro-4-(2-oxolanylmethylamino)phenyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-nitro-4-(oxolan-2-ylmethylamino)benzoyl]benzoate Traditional Name: 2-[3-nitro-4-(tetrahydrofurfurylamino)benzoyl]benzoic acid methyl ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)NCC3CCCO3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)NCC3CCCO3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O6/c1-27-20(24)16-7-3-2-6-15(16)19(23)13-8-9-17(18(11-13)22(25)26)21-12-14-5-4-10-28-14/h2-3,6-9,11,14,21H,4-5,10,12H2,1H3