4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,4-benzoxazine-7-carboxylic acid

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,4-benzoxazine-7-carboxylic acid Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]-3-oxo-1,4-benzoxazine-7-carboxylic acid CAS Name: 4-[2-(1-azepanyl)-2-oxoethyl]-3-oxo-1,4-benzoxazine-7-carboxylic acid IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]-3-oxo-1,4-benzoxazine-7-carboxylic acid Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethyl]-3-keto-1,4-benzoxazine-7-carboxylic acid Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)COC3=C2C=CC(=C3)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)COC3=C2C=CC(=C3)C(=O)O

InChI

InChI=1S/C17H20N2O5/c20-15(18-7-3-1-2-4-8-18)10-19-13-6-5-12(17(22)23)9-14(13)24-11-16(19)21/h5-6,9H,1-4,7-8,10-11H2,(H,22,23)