tert-butyl 2-(7-nitro-5-oxidanylidene-2,3-dihydro-1H-1,4-benzodiazepin-4-yl)ethanoate

Systemtic Name: tert-butyl 2-(7-nitro-5-oxidanylidene-2,3-dihydro-1H-1,4-benzodiazepin-4-yl)ethanoate Openeye Name: tert-butyl 2-(7-nitro-5-oxo-2,3-dihydro-1H-1,4-benzodiazepin-4-yl)acetate CAS Name: 2-(7-nitro-5-oxo-2,3-dihydro-1H-1,4-benzodiazepin-4-yl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(7-nitro-5-oxo-2,3-dihydro-1H-1,4-benzodiazepin-4-yl)acetate Traditional Name: 2-(5-keto-7-nitro-2,3-dihydro-1H-1,4-benzodiazepin-4-yl)acetic acid tert-butyl ester Formula: C15H19N3O5 MolecularWeight: 321.32846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCNC2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCNC2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O5/c1-15(2,3)23-13(19)9-17-7-6-16-12-5-4-10(18(21)22)8-11(12)14(17)20/h4-5,8,16H,6-7,9H2,1-3H3