[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=CC(=C(C=C2)NCCOC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=CC(=C(C=C2)NCCOC)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O6/c1-13(19(25)23-16-5-3-4-14(10-16)12-21)30-20(26)15-6-7-17(22-8-9-29-2)18(11-15)24(27)28/h3-7,10-11,13,22H,8-9H2,1-2H3,(H,23,25)/t13-/m1/s1