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

Systemtic Name: 4-ethoxy-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[3-(isobutyrylamino)benzyl]-3-nitro-benzamide Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCC2=CC(=CC=C2)NC(=O)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCC2=CC(=CC=C2)NC(=O)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5/c1-4-28-18-9-8-15(11-17(18)23(26)27)20(25)21-12-14-6-5-7-16(10-14)22-19(24)13(2)3/h5-11,13H,4,12H2,1-3H3,(H,21,25)(H,22,24)