6-(1,4-diazepan-1-yl)-7-nitro-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-(1,4-diazepan-1-yl)-7-nitro-4H-1,4-benzoxazin-3-one Openeye Name: 6-(1,4-diazepan-1-yl)-7-nitro-4H-1,4-benzoxazin-3-one CAS Name: 6-(1,4-diazepan-1-yl)-7-nitro-4H-1,4-benzoxazin-3-one IUPAC Name: 6-(1,4-diazepan-1-yl)-7-nitro-4H-1,4-benzoxazin-3-one Traditional Name: 6-(1,4-diazepan-1-yl)-7-nitro-4H-1,4-benzoxazin-3-one Formula: C13H16N4O4 MolecularWeight: 292.29054

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=CC3=C(C=C2[N+](=O)[O-])OCC(=O)N3

Isomeric SMILES

C1CNCCN(C1)C2=CC3=C(C=C2[N+](=O)[O-])OCC(=O)N3

InChI

InChI=1S/C13H16N4O4/c18-13-8-21-12-7-11(17(19)20)10(6-9(12)15-13)16-4-1-2-14-3-5-16/h6-7,14H,1-5,8H2,(H,15,18)