(4-nitrophenyl) 3-[[1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]oxirane-2-carboxylate

Systemtic Name: (4-nitrophenyl) 3-[[1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]oxirane-2-carboxylate Openeye Name: (4-nitrophenyl) 3-[[1-benzyl-2-(dimethylamino)-2-oxo-ethyl]carbamoyl]oxirane-2-carboxylate CAS Name: 3-[[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylate Traditional Name: 3-[[1-benzyl-2-(dimethylamino)-2-keto-ethyl]carbamoyl]oxirane-2-carboxylic acid (4-nitrophenyl) ester Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(CC1=CC=CC=C1)NC(=O)C2C(O2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)C(CC1=CC=CC=C1)NC(=O)C2C(O2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O7/c1-23(2)20(26)16(12-13-6-4-3-5-7-13)22-19(25)17-18(31-17)21(27)30-15-10-8-14(9-11-15)24(28)29/h3-11,16-18H,12H2,1-2H3,(H,22,25)