[(3S,4R)-3-azido-2-oxidanylidene-1-(phenylmethyl)azepan-4-yl] ethanoate

Systemtic Name: [(3S,4R)-3-azido-2-oxidanylidene-1-(phenylmethyl)azepan-4-yl] ethanoate Openeye Name: [(3S,4R)-3-azido-1-benzyl-2-oxo-azepan-4-yl] acetate CAS Name: acetic acid [(3S,4R)-3-azido-2-oxo-1-(phenylmethyl)-4-azepanyl] ester IUPAC Name: [(3S,4R)-3-azido-1-benzyl-2-oxoazepan-4-yl] acetate Traditional Name: acetic acid [(3S,4R)-3-azido-1-benzyl-2-keto-azepan-4-yl] ester Formula: C15H18N4O3 MolecularWeight: 302.32842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCCN(C(=O)C1N=[N+]=[N-])CC2=CC=CC=C2

Isomeric SMILES

CC(=O)O[C@@H]1CCCN(C(=O)[C@H]1N=[N+]=[N-])CC2=CC=CC=C2

InChI

InChI=1S/C15H18N4O3/c1-11(20)22-13-8-5-9-19(15(21)14(13)17-18-16)10-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-10H2,1H3/t13-,14+/m1/s1