(4-oxidanylidene-4-thiophen-2-yl-butyl) 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetate CAS Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetate Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C18H16N2O7S MolecularWeight: 404.39384

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)OCCCC(=O)C3=CC=CS3

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)OCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C18H16N2O7S/c21-14(16-4-2-8-28-16)3-1-7-26-18(23)10-19-13-9-12(20(24)25)5-6-15(13)27-11-17(19)22/h2,4-6,8-9H,1,3,7,10-11H2