N-[3-azanyl-1-[4-(butylamino)-3-nitro-phenyl]-3-oxidanylidene-propyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[3-azanyl-1-[4-(butylamino)-3-nitro-phenyl]-3-oxidanylidene-propyl]-3,5-dimethyl-benzamide Openeye Name: N-[3-amino-1-[4-(butylamino)-3-nitro-phenyl]-3-oxo-propyl]-3,5-dimethyl-benzamide CAS Name: N-[3-amino-1-[4-(butylamino)-3-nitrophenyl]-3-oxopropyl]-3,5-dimethylbenzamide IUPAC Name: N-[3-amino-1-[4-(butylamino)-3-nitrophenyl]-3-oxopropyl]-3,5-dimethylbenzamide Traditional Name: N-[3-amino-1-[4-(butylamino)-3-nitro-phenyl]-3-keto-propyl]-3,5-dimethyl-benzamide Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)C(CC(=O)N)NC(=O)C2=CC(=CC(=C2)C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)C(CC(=O)N)NC(=O)C2=CC(=CC(=C2)C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O4/c1-4-5-8-24-18-7-6-16(12-20(18)26(29)30)19(13-21(23)27)25-22(28)17-10-14(2)9-15(3)11-17/h6-7,9-12,19,24H,4-5,8,13H2,1-3H3,(H2,23,27)(H,25,28)