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

Systemtic Name: 4-(methylamino)-N-[2-(2-methylpropanoylamino)ethyl]-3-nitro-benzamide Openeye Name: 4-(methylamino)-N-[2-(2-methylpropanoylamino)ethyl]-3-nitro-benzamide CAS Name: 4-(methylamino)-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-3-nitrobenzamide IUPAC Name: 4-(methylamino)-N-[2-(2-methylpropanoylamino)ethyl]-3-nitrobenzamide Traditional Name: N-[2-(isobutyrylamino)ethyl]-4-(methylamino)-3-nitro-benzamide Formula: C14H20N4O4 MolecularWeight: 308.333

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O4/c1-9(2)13(19)16-6-7-17-14(20)10-4-5-11(15-3)12(8-10)18(21)22/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,19)(H,17,20)