6-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methylene]-3-propoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methylidene]-3-propoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methylidene]-3-propoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methylene]-3-propoxy-cyclohexa-2,4-dien-1-one Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=O)C(=CNC2=CC3=C(C=C2)OCCCO3)C=C1

Isomeric SMILES

CCCOC1=CC(=O)C(=CNC2=CC3=C(C=C2)OCCCO3)C=C1

InChI

InChI=1S/C19H21NO4/c1-2-8-22-16-6-4-14(17(21)12-16)13-20-15-5-7-18-19(11-15)24-10-3-9-23-18/h4-7,11-13,20H,2-3,8-10H2,1H3