[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate

Systemtic Name: [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: [2-[[(1S)-1,2-dimethylpropyl]amino]-2-oxo-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-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 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-[[(1S)-1,2-dimethylpropyl]amino]-2-keto-ethyl] ester Formula: C17H21N3O7 MolecularWeight: 379.36454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)COC(=O)CN1C(=O)COC2=C1C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(C)C)NC(=O)COC(=O)CN1C(=O)COC2=C1C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O7/c1-10(2)11(3)18-15(21)8-27-17(23)7-19-13-6-12(20(24)25)4-5-14(13)26-9-16(19)22/h4-6,10-11H,7-9H2,1-3H3,(H,18,21)/t11-/m0/s1