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

Systemtic Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylamino]-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-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclohexen-1-yl)ethylamino]-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-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl] ester Formula: C20H23N3O7 MolecularWeight: 417.41252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)COC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)COC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O7/c24-18(21-9-8-14-4-2-1-3-5-14)12-30-20(26)11-22-16-10-15(23(27)28)6-7-17(16)29-13-19(22)25/h4,6-7,10H,1-3,5,8-9,11-13H2,(H,21,24)