(phenylmethyl) 6-azido-3-(dipropylamino)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (phenylmethyl) 6-azido-3-(dipropylamino)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: benzyl 6-azido-3-(dipropylamino)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-azido-3-(dipropylamino)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-azido-3-(dipropylamino)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-azido-3-(dipropylamino)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid benzyl ester Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=C(N2C(C1)C(C2=O)N=[N+]=[N-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCN(CCC)C1=C(N2C(C1)C(C2=O)N=[N+]=[N-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H25N5O3/c1-3-10-24(11-4-2)16-12-15-17(22-23-21)19(26)25(15)18(16)20(27)28-13-14-8-6-5-7-9-14/h5-9,15,17H,3-4,10-13H2,1-2H3