N-[4-[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethoxy]phenyl]-3-nitro-benzamide

Systemtic Name: N-[4-[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethoxy]phenyl]-3-nitro-benzamide Openeye Name: N-[4-[2-(diisopropylamino)-2-oxo-ethoxy]phenyl]-3-nitro-benzamide CAS Name: N-[4-[2-[di(propan-2-yl)amino]-2-oxoethoxy]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[2-[di(propan-2-yl)amino]-2-oxoethoxy]phenyl]-3-nitrobenzamide Traditional Name: N-[4-[2-(diisopropylamino)-2-keto-ethoxy]phenyl]-3-nitro-benzamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)COC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(C(C)C)C(=O)COC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5/c1-14(2)23(15(3)4)20(25)13-29-19-10-8-17(9-11-19)22-21(26)16-6-5-7-18(12-16)24(27)28/h5-12,14-15H,13H2,1-4H3,(H,22,26)