4-[(tert-butylamino)methyl]-3-nitro-benzamide; ethanedioic acid

Systemtic Name: 4-[(tert-butylamino)methyl]-3-nitro-benzamide; ethanedioic acid Openeye Name: 4-[(tert-butylamino)methyl]-3-nitro-benzamide; oxalic acid CAS Name: 4-[(tert-butylamino)methyl]-3-nitrobenzamide; oxalic acid IUPAC Name: 4-[(tert-butylamino)methyl]-3-nitrobenzamide; oxalic acid Traditional Name: 4-[(tert-butylamino)methyl]-3-nitro-benzamide; oxalic acid Formula: C14H19N3O7 MolecularWeight: 341.31656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C)NCC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C12H17N3O3.C2H2O4/c1-12(2,3)14-7-9-5-4-8(11(13)16)6-10(9)15(17)18;3-1(4)2(5)6/h4-6,14H,7H2,1-3H3,(H2,13,16);(H,3,4)(H,5,6)