3-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-(2-methyl-4-nitro-phenyl)propanamide

Systemtic Name: 3-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-(2-methyl-4-nitro-phenyl)propanamide Openeye Name: 3-[[2-(2-ethylanilino)-2-oxo-ethyl]-methyl-amino]-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: 3-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-(2-methyl-4-nitrophenyl)propanamide IUPAC Name: 3-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: 3-[[2-(2-ethylanilino)-2-keto-ethyl]-methyl-amino]-N-(2-methyl-4-nitro-phenyl)propionamide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN(C)CCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN(C)CCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C

InChI

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