N-[3-azanyl-1-[4-(cyclohexylamino)-3-nitro-phenyl]-3-oxidanylidene-propyl]-4-bromanyl-benzamide

Systemtic Name: N-[3-azanyl-1-[4-(cyclohexylamino)-3-nitro-phenyl]-3-oxidanylidene-propyl]-4-bromanyl-benzamide Openeye Name: N-[3-amino-1-[4-(cyclohexylamino)-3-nitro-phenyl]-3-oxo-propyl]-4-bromo-benzamide CAS Name: N-[3-amino-1-[4-(cyclohexylamino)-3-nitrophenyl]-3-oxopropyl]-4-bromobenzamide IUPAC Name: N-[3-amino-1-[4-(cyclohexylamino)-3-nitrophenyl]-3-oxopropyl]-4-bromobenzamide Traditional Name: N-[3-amino-1-[4-(cyclohexylamino)-3-nitro-phenyl]-3-keto-propyl]-4-bromo-benzamide Formula: C22H25BrN4O4 MolecularWeight: 489.3623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C22H25BrN4O4/c23-16-9-6-14(7-10-16)22(29)26-19(13-21(24)28)15-8-11-18(20(12-15)27(30)31)25-17-4-2-1-3-5-17/h6-12,17,19,25H,1-5,13H2,(H2,24,28)(H,26,29)