tert-butyl 2-[7-nitro-5-oxidanylidene-1-[(2S)-pyrrolidin-2-yl]carbonyl-2,3-dihydro-1,4-benzodiazepin-4-yl]ethanoate

Systemtic Name: tert-butyl 2-[7-nitro-5-oxidanylidene-1-[(2S)-pyrrolidin-2-yl]carbonyl-2,3-dihydro-1,4-benzodiazepin-4-yl]ethanoate Openeye Name: tert-butyl 2-[7-nitro-5-oxo-1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydro-1,4-benzodiazepin-4-yl]acetate CAS Name: 2-[7-nitro-5-oxo-1-[oxo-[(2S)-2-pyrrolidinyl]methyl]-2,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[7-nitro-5-oxo-1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydro-1,4-benzodiazepin-4-yl]acetate Traditional Name: 2-[5-keto-7-nitro-1-[(2S)-prolyl]-2,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid tert-butyl ester Formula: C20H26N4O6 MolecularWeight: 418.44364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCN(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C(=O)C3CCCN3

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCN(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C(=O)[C@@H]3CCCN3

InChI

InChI=1S/C20H26N4O6/c1-20(2,3)30-17(25)12-22-9-10-23(19(27)15-5-4-8-21-15)16-7-6-13(24(28)29)11-14(16)18(22)26/h6-7,11,15,21H,4-5,8-10,12H2,1-3H3/t15-/m0/s1