N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[2-(2-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidino-ethyl]acetamide Formula: C23H26N4O6 MolecularWeight: 454.47574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

COC1=CC=CC=C1C(CNC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C23H26N4O6/c1-32-20-7-3-2-6-17(20)19(25-10-4-5-11-25)13-24-22(28)14-26-18-12-16(27(30)31)8-9-21(18)33-15-23(26)29/h2-3,6-9,12,19H,4-5,10-11,13-15H2,1H3,(H,24,28)