4-[[[2-[(2,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]-propyl-amino]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[[2-[(2,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]-propyl-amino]methyl]-3-nitro-benzamide Openeye Name: 4-[[[2-(2,4-dichloroanilino)-2-oxo-ethyl]-propyl-amino]methyl]-3-nitro-benzamide CAS Name: 4-[[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]methyl]-3-nitrobenzamide IUPAC Name: 4-[[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]methyl]-3-nitrobenzamide Traditional Name: 4-[[[2-(2,4-dichloroanilino)-2-keto-ethyl]-propyl-amino]methyl]-3-nitro-benzamide Formula: C19H20Cl2N4O4 MolecularWeight: 439.2925

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-])CC(=O)NC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCN(CC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-])CC(=O)NC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C19H20Cl2N4O4/c1-2-7-24(11-18(26)23-16-6-5-14(20)9-15(16)21)10-13-4-3-12(19(22)27)8-17(13)25(28)29/h3-6,8-9H,2,7,10-11H2,1H3,(H2,22,27)(H,23,26)