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

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: [2-[[(1S)-1-methylpropyl]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)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-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-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C16H19N3O7 MolecularWeight: 365.33796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O7/c1-3-10(2)17-14(20)8-26-16(22)7-18-12-6-11(19(23)24)4-5-13(12)25-9-15(18)21/h4-6,10H,3,7-9H2,1-2H3,(H,17,20)/t10-/m0/s1