[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyric acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C18H23N3O7 MolecularWeight: 393.39112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C18H23N3O7/c1-12(2)7-8-19-16(22)11-27-17(23)4-3-9-20-14-6-5-13(21(25)26)10-15(14)28-18(20)24/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H,19,22)