2-azanyl-9-methoxy-8-oxidanyl-3H-1-benzazepine-4-carboxylic acid

Systemtic Name: 2-azanyl-9-methoxy-8-oxidanyl-3H-1-benzazepine-4-carboxylic acid Openeye Name: 2-amino-8-hydroxy-9-methoxy-3H-1-benzazepine-4-carboxylic acid CAS Name: 2-amino-8-hydroxy-9-methoxy-3H-1-benzazepine-4-carboxylic acid IUPAC Name: 2-amino-8-hydroxy-9-methoxy-3H-1-benzazepine-4-carboxylic acid Traditional Name: 2-amino-8-hydroxy-9-methoxy-3H-1-benzazepine-4-carboxylic acid Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC2=C1N=C(CC(=C2)C(=O)O)N)O

Isomeric SMILES

COC1=C(C=CC2=C1N=C(CC(=C2)C(=O)O)N)O

InChI

InChI=1S/C12H12N2O4/c1-18-11-8(15)3-2-6-4-7(12(16)17)5-9(13)14-10(6)11/h2-4,15H,5H2,1H3,(H2,13,14)(H,16,17)