N-[3-[2-(methylamino)-2-oxidanylidene-ethoxy]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[3-[2-(methylamino)-2-oxidanylidene-ethoxy]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-[2-(methylamino)-2-oxo-ethoxy]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-[2-keto-2-(methylamino)ethoxy]phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C20H22N4O5 MolecularWeight: 398.41248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)COC1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5/c1-21-19(25)13-29-16-6-4-5-15(12-16)22-20(26)14-7-8-17(18(11-14)24(27)28)23-9-2-3-10-23/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,21,25)(H,22,26)