4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,4-benzoxazine-6-carbaldehyde

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,4-benzoxazine-6-carbaldehyde Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]-3-oxo-1,4-benzoxazine-6-carbaldehyde CAS Name: 4-[2-(1-azepanyl)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxaldehyde IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carbaldehyde Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethyl]-3-keto-1,4-benzoxazine-6-carbaldehyde Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4/c20-11-13-5-6-15-14(9-13)19(17(22)12-23-15)10-16(21)18-7-3-1-2-4-8-18/h5-6,9,11H,1-4,7-8,10,12H2