[(1R)-1-cyanoethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: [(1R)-1-cyanoethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid [(1R)-1-cyanoethyl] ester Formula: C13H15N3O5 MolecularWeight: 293.2753

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC(=C(C=C1)NCCOC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC(=C(C=C1)NCCOC)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O5/c1-9(8-14)21-13(17)10-3-4-11(15-5-6-20-2)12(7-10)16(18)19/h3-4,7,9,15H,5-6H2,1-2H3/t9-/m1/s1