4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-nitro-1,4-benzoxazin-3-one

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-nitro-1,4-benzoxazin-3-one Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]-6-nitro-1,4-benzoxazin-3-one CAS Name: 4-[2-(1-azepanyl)-2-oxoethyl]-6-nitro-1,4-benzoxazin-3-one IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]-6-nitro-1,4-benzoxazin-3-one Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethyl]-6-nitro-1,4-benzoxazin-3-one Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O5/c20-15(17-7-3-1-2-4-8-17)10-18-13-9-12(19(22)23)5-6-14(13)24-11-16(18)21/h5-6,9H,1-4,7-8,10-11H2