2-cyclobutyloxy-7-nitro-4-oxidanylidene-3,1-benzoxazine-5-carbothialdehyde

Systemtic Name: 2-cyclobutyloxy-7-nitro-4-oxidanylidene-3,1-benzoxazine-5-carbothialdehyde Openeye Name: 2-(cyclobutoxy)-7-nitro-4-oxo-3,1-benzoxazine-5-carbothialdehyde CAS Name: 2-cyclobutyloxy-7-nitro-4-oxo-3,1-benzoxazine-5-carbothioaldehyde IUPAC Name: 2-cyclobutyloxy-7-nitro-4-oxo-3,1-benzoxazine-5-carbothialdehyde Traditional Name: 2-(cyclobutoxy)-4-keto-7-nitro-3,1-benzoxazine-5-carbothialdehyde Formula: C13H10N2O5S MolecularWeight: 306.2939

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)OC2=NC3=C(C(=CC(=C3)[N+](=O)[O-])C=S)C(=O)O2

Isomeric SMILES

C1CC(C1)OC2=NC3=C(C(=CC(=C3)[N+](=O)[O-])C=S)C(=O)O2

InChI

InChI=1S/C13H10N2O5S/c16-12-11-7(6-21)4-8(15(17)18)5-10(11)14-13(20-12)19-9-2-1-3-9/h4-6,9H,1-3H2