[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] (E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoate

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] (E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoate CAS Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propenoic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoate Traditional Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acrylic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C15H16ClNO5 MolecularWeight: 325.74424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C=CC1=CC2=C(C(=C1)Cl)OCCCO2

Isomeric SMILES

C[C@H](C(=O)N)OC(=O)/C=C/C1=CC2=C(C(=C1)Cl)OCCCO2

InChI

InChI=1S/C15H16ClNO5/c1-9(15(17)19)22-13(18)4-3-10-7-11(16)14-12(8-10)20-5-2-6-21-14/h3-4,7-9H,2,5-6H2,1H3,(H2,17,19)/b4-3+/t9-/m1/s1