4-methyl-N-[2-(2-methylpropanoylamino)ethyl]-3-nitro-benzamide

Systemtic Name: 4-methyl-N-[2-(2-methylpropanoylamino)ethyl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[2-(2-methylpropanoylamino)ethyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[2-(2-methylpropanoylamino)ethyl]-3-nitrobenzamide Traditional Name: N-[2-(isobutyrylamino)ethyl]-4-methyl-3-nitro-benzamide Formula: C14H19N3O4 MolecularWeight: 293.31836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCNC(=O)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCNC(=O)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O4/c1-9(2)13(18)15-6-7-16-14(19)11-5-4-10(3)12(8-11)17(20)21/h4-5,8-9H,6-7H2,1-3H3,(H,15,18)(H,16,19)