4-chloranyl-N-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(2-methoxyethyl)-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(2-methoxyethyl)-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxo-ethyl]-N-(2-methoxyethyl)-3-nitro-benzamide CAS Name: 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-(2,3-dimethylanilino)-2-keto-ethyl]-N-(2-methoxyethyl)-3-nitro-benzamide Formula: C20H22ClN3O5 MolecularWeight: 419.85878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN(CCOC)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN(CCOC)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C20H22ClN3O5/c1-13-5-4-6-17(14(13)2)22-19(25)12-23(9-10-29-3)20(26)15-7-8-16(21)18(11-15)24(27)28/h4-8,11H,9-10,12H2,1-3H3,(H,22,25)