N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-5-nitro-2-pyrrolidino-benzamide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(OC2=CC=CC=C21)CN(C)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CCN1C[C@H](OC2=CC=CC=C21)CN(C)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C23H28N4O4/c1-3-25-16-18(31-22-9-5-4-8-21(22)25)15-24(2)23(28)19-14-17(27(29)30)10-11-20(19)26-12-6-7-13-26/h4-5,8-11,14,18H,3,6-7,12-13,15-16H2,1-2H3/t18-/m1/s1