3-(butoxycarbonylamino)-2-oxidanylidene-1-benzazepine-8-carboxylic acid

Systemtic Name: 3-(butoxycarbonylamino)-2-oxidanylidene-1-benzazepine-8-carboxylic acid Openeye Name: 3-(butoxycarbonylamino)-2-oxo-1-benzazepine-8-carboxylic acid CAS Name: 3-[[butoxy(oxo)methyl]amino]-2-oxo-1-benzazepine-8-carboxylic acid IUPAC Name: 3-(butoxycarbonylamino)-2-oxo-1-benzazepine-8-carboxylic acid Traditional Name: 3-(butoxycarbonylamino)-2-keto-1-benzazepine-8-carboxylic acid Formula: C16H16N2O5 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC1=CC=C2C=CC(=CC2=NC1=O)C(=O)O

Isomeric SMILES

CCCCOC(=O)NC1=CC=C2C=CC(=CC2=NC1=O)C(=O)O

InChI

InChI=1S/C16H16N2O5/c1-2-3-8-23-16(22)18-12-7-6-10-4-5-11(15(20)21)9-13(10)17-14(12)19/h4-7,9H,2-3,8H2,1H3,(H,20,21)(H,17,18,19,22)