N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-2-keto-ethyl]-3-nitro-benzamide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(CNC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N(C)C

InChI

InChI=1S/C21H26N4O4/c1-4-15-8-10-16(11-9-15)19(24(2)3)13-22-20(26)14-23-21(27)17-6-5-7-18(12-17)25(28)29/h5-12,19H,4,13-14H2,1-3H3,(H,22,26)(H,23,27)