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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: [2-(isopropylamino)-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-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)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-(isopropylamino)-2-keto-ethyl] ester Formula: C15H17N3O7 MolecularWeight: 351.31138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O7/c1-9(2)16-13(19)7-25-15(21)6-17-11-5-10(18(22)23)3-4-12(11)24-8-14(17)20/h3-5,9H,6-8H2,1-2H3,(H,16,19)