[2-[[(2R)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [2-[[(2R)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-[[(1R)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-2-oxo-ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-[[(1R)-1-benzyl-2-keto-2-methoxy-ethyl]amino]-2-keto-ethyl] ester Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)N[C@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H21N3O7/c1-21-16-9-8-14(23(27)28)11-15(16)19(25)30-12-18(24)22-17(20(26)29-2)10-13-6-4-3-5-7-13/h3-9,11,17,21H,10,12H2,1-2H3,(H,22,24)/t17-/m1/s1