N-[3-[[ethanoyl(ethyl)amino]methyl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[3-[[ethanoyl(ethyl)amino]methyl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CCN(CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C22H26N4O4/c1-3-24(16(2)27)15-17-7-6-8-19(13-17)23-22(28)18-9-10-20(21(14-18)26(29)30)25-11-4-5-12-25/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,23,28)