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

Systemtic Name: (3-azanyl-3-oxidanylidene-propyl) (E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoate Openeye Name: (3-amino-3-oxo-propyl) (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 (3-amino-3-oxopropyl) ester IUPAC Name: (3-amino-3-oxopropyl) (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 (3-amino-3-keto-propyl) ester Formula: C15H16ClNO5 MolecularWeight: 325.74424

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C=CC(=O)OCCC(=O)N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)/C=C/C(=O)OCCC(=O)N)Cl)OC1

InChI

InChI=1S/C15H16ClNO5/c16-11-8-10(2-3-14(19)21-7-4-13(17)18)9-12-15(11)22-6-1-5-20-12/h2-3,8-9H,1,4-7H2,(H2,17,18)/b3-2+