methyl 4-(1,3-benzodioxol-5-yl)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate

Systemtic Name: methyl 4-(1,3-benzodioxol-5-yl)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate Openeye Name: methyl 4-(1,3-benzodioxol-5-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(1,3-benzodioxol-5-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-keto-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylic acid methyl ester Formula: C19H17NO5 MolecularWeight: 339.34198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(CC2=CC=CC=C2NC1=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1C(CC2=CC=CC=C2NC1=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H17NO5/c1-23-19(22)17-13(11-6-7-15-16(9-11)25-10-24-15)8-12-4-2-3-5-14(12)20-18(17)21/h2-7,9,13,17H,8,10H2,1H3,(H,20,21)