2-[(11E)-11-(3-azanylpropylidene)-6H-benzo[c][1]benzoxepin-2-yl]ethanoate

Systemtic Name: 2-[(11E)-11-(3-azanylpropylidene)-6H-benzo[c][1]benzoxepin-2-yl]ethanoate Openeye Name: 2-[(11E)-11-(3-aminopropylidene)-6H-benzo[c][1]benzoxepin-2-yl]acetate CAS Name: 2-[(11E)-11-(3-aminopropylidene)-6H-benzo[c][1]benzoxepin-2-yl]acetate IUPAC Name: 2-[(11E)-11-(3-aminopropylidene)-6H-benzo[c][1]benzoxepin-2-yl]acetate Traditional Name: 2-[(11E)-11-(3-aminopropylidene)-6H-benzo[c][1]benzoxepin-2-yl]acetate Formula: C19H18NO3- MolecularWeight: 308.35112

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=CCCN)C3=C(O1)C=CC(=C3)CC(=O)[O-]

Isomeric SMILES

C1C2=CC=CC=C2/C(=C\CCN)/C3=C(O1)C=CC(=C3)CC(=O)[O-]

InChI

InChI=1S/C19H19NO3/c20-9-3-6-16-15-5-2-1-4-14(15)12-23-18-8-7-13(10-17(16)18)11-19(21)22/h1-2,4-8,10H,3,9,11-12,20H2,(H,21,22)/p-1/b16-6+