3-(1,7-dimethyl-10-oxidanylidene-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)-2-oxidanyl-propanal

Systemtic Name: 3-(1,7-dimethyl-10-oxidanylidene-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)-2-oxidanyl-propanal Openeye Name: 3-(1,7-dimethyl-10-oxo-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)-2-hydroxy-propanal CAS Name: 3-(1,7-dimethyl-10-oxo-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)-2-hydroxypropanal IUPAC Name: 3-(1,7-dimethyl-10-oxo-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)-2-hydroxypropanal Traditional Name: 2-hydroxy-3-(10-keto-1,7-dimethyl-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)propionaldehyde Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)C3=C(CO2)C=C(N3C)CC(C=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)C3=C(CO2)C=C(N3C)CC(C=O)O

InChI

InChI=1S/C17H17NO4/c1-10-3-4-14-15(5-10)22-9-11-6-12(7-13(20)8-19)18(2)16(11)17(14)21/h3-6,8,13,20H,7,9H2,1-2H3