N-[3-[(3-chloranyl-2,6-diethyl-phenyl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[(3-chloranyl-2,6-diethyl-phenyl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-(3-chloro-2,6-diethyl-anilino)-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-(3-chloro-2,6-diethylanilino)-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-(3-chloro-2,6-diethylanilino)-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-(3-chloro-2,6-diethyl-anilino)-3-keto-propyl]-4-nitro-benzamide Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O4/c1-3-13-7-10-17(21)16(4-2)19(13)23-18(25)11-12-22-20(26)14-5-8-15(9-6-14)24(27)28/h5-10H,3-4,11-12H2,1-2H3,(H,22,26)(H,23,25)