N-[2-[[(1S)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[[(1S)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[[(1S)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[[(1S)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[[(1S)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[[(1S)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-keto-ethyl]-3-nitro-benzamide Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H](C)NC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H25N3O6/c1-4-29-18-10-9-15(12-19(18)30-5-2)14(3)23-20(25)13-22-21(26)16-7-6-8-17(11-16)24(27)28/h6-12,14H,4-5,13H2,1-3H3,(H,22,26)(H,23,25)/t14-/m0/s1