[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 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 [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 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 [2-keto-2-(propargylamino)ethyl] ester Formula: C15H13N3O7 MolecularWeight: 347.27962

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)CN1C(=O)COC2=C1C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C#CCNC(=O)COC(=O)CN1C(=O)COC2=C1C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O7/c1-2-5-16-13(19)8-25-15(21)7-17-11-6-10(18(22)23)3-4-12(11)24-9-14(17)20/h1,3-4,6H,5,7-9H2,(H,16,19)