[(2R)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-nitro-4-phenylazanyl-benzoate

Systemtic Name: [(2R)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-nitro-4-phenylazanyl-benzoate Openeye Name: [(1R)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 4-anilino-3-nitro-benzoate CAS Name: 4-anilino-3-nitrobenzoic acid [(2R)-1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-anilino-3-nitrobenzoate Traditional Name: 4-anilino-3-nitro-benzoic acid [(1R)-2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)OC(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CO1)OC(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O6/c1-14(20(25)22-13-17-8-5-11-29-17)30-21(26)15-9-10-18(19(12-15)24(27)28)23-16-6-3-2-4-7-16/h2-12,14,23H,13H2,1H3,(H,22,25)/t14-/m1/s1