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

Systemtic Name: N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-methyl-N-[(5-methyl-2-furyl)methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-methyl-N-[(5-methyl-2-furanyl)methyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-methyl-N-[(5-methyl-2-furyl)methyl]-3-nitro-4-pyrrolidino-benzamide Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN(C)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(O1)CN(C)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4/c1-13-5-7-15(25-13)12-19(2)18(22)14-6-8-16(17(11-14)21(23)24)20-9-3-4-10-20/h5-8,11H,3-4,9-10,12H2,1-2H3