N-[3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: N-[3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-[3-methyl-4-(2-oxo-1-pyrrolidinyl)phenyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-[4-(2-ketopyrrolidino)-3-methyl-phenyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)N4CCCC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)N4CCCC4=O

InChI

InChI=1S/C20H19N3O6/c1-12-9-13(4-5-15(12)22-6-2-3-19(22)24)21-20(25)14-10-17-18(29-8-7-28-17)11-16(14)23(26)27/h4-5,9-11H,2-3,6-8H2,1H3,(H,21,25)