N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-methyl-N-[(5-methylisoxazol-3-yl)methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-methyl-N-[(5-methyl-3-isoxazolyl)methyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-methyl-N-[(5-methylisoxazol-3-yl)methyl]-3-nitro-4-pyrrolidino-benzamide Formula: C17H20N4O4 MolecularWeight: 344.3651

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN(C)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)CN(C)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O4/c1-12-9-14(18-25-12)11-19(2)17(22)13-5-6-15(16(10-13)21(23)24)20-7-3-4-8-20/h5-6,9-10H,3-4,7-8,11H2,1-2H3