[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] 5-nitro-2-[(phenylmethyl)amino]benzoate

Systemtic Name: [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: [2-[[(1R)-1,2-dimethylpropyl]amino]-2-oxo-ethyl] 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoic acid [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoic acid [2-[[(1R)-1,2-dimethylpropyl]amino]-2-keto-ethyl] ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(C)C)NC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O5/c1-14(2)15(3)23-20(25)13-29-21(26)18-11-17(24(27)28)9-10-19(18)22-12-16-7-5-4-6-8-16/h4-11,14-15,22H,12-13H2,1-3H3,(H,23,25)/t15-/m1/s1