(2S)-7-nitro-2-(2-pyrrolidin-1-ylethyl)-4H-1,4-benzoxazin-3-one

Systemtic Name: (2S)-7-nitro-2-(2-pyrrolidin-1-ylethyl)-4H-1,4-benzoxazin-3-one Openeye Name: (2S)-7-nitro-2-(2-pyrrolidin-1-ylethyl)-4H-1,4-benzoxazin-3-one CAS Name: (2S)-7-nitro-2-[2-(1-pyrrolidinyl)ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: (2S)-7-nitro-2-(2-pyrrolidin-1-ylethyl)-4H-1,4-benzoxazin-3-one Traditional Name: (2S)-7-nitro-2-(2-pyrrolidinoethyl)-4H-1,4-benzoxazin-3-one Formula: C14H17N3O4 MolecularWeight: 291.30248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCC2C(=O)NC3=C(O2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CC[C@H]2C(=O)NC3=C(O2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O4/c18-14-12(5-8-16-6-1-2-7-16)21-13-9-10(17(19)20)3-4-11(13)15-14/h3-4,9,12H,1-2,5-8H2,(H,15,18)/t12-/m0/s1