N-(2-diethylaminoethyl)-2-(2-methyl-5-nitro-1,3-benzodioxol-2-yl)ethanamide; ethanedioic acid

Systemtic Name: N-(2-diethylaminoethyl)-2-(2-methyl-5-nitro-1,3-benzodioxol-2-yl)ethanamide; ethanedioic acid Openeye Name: N-(2-diethylaminoethyl)-2-(2-methyl-5-nitro-1,3-benzodioxol-2-yl)acetamide; oxalic acid CAS Name: N-(2-diethylaminoethyl)-2-(2-methyl-5-nitro-1,3-benzodioxol-2-yl)acetamide; oxalic acid IUPAC Name: N-(2-diethylaminoethyl)-2-(2-methyl-5-nitro-1,3-benzodioxol-2-yl)acetamide; oxalic acid Traditional Name: N-(2-diethylaminoethyl)-2-(2-methyl-5-nitro-1,3-benzodioxol-2-yl)acetamide; oxalic acid Formula: C18H25N3O9 MolecularWeight: 427.4058

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)CC1(OC2=C(O1)C=C(C=C2)[N+](=O)[O-])C.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCNC(=O)CC1(OC2=C(O1)C=C(C=C2)[N+](=O)[O-])C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H23N3O5.C2H2O4/c1-4-18(5-2)9-8-17-15(20)11-16(3)23-13-7-6-12(19(21)22)10-14(13)24-16;3-1(4)2(5)6/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,17,20);(H,3,4)(H,5,6)