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

Systemtic Name: N-[3-azanyl-1-[4-(cyclobutylamino)-3-nitro-phenyl]-3-oxidanylidene-propyl]-3-bromanyl-benzamide Openeye Name: N-[3-amino-1-[4-(cyclobutylamino)-3-nitro-phenyl]-3-oxo-propyl]-3-bromo-benzamide CAS Name: N-[3-amino-1-[4-(cyclobutylamino)-3-nitrophenyl]-3-oxopropyl]-3-bromobenzamide IUPAC Name: N-[3-amino-1-[4-(cyclobutylamino)-3-nitrophenyl]-3-oxopropyl]-3-bromobenzamide Traditional Name: N-[3-amino-1-[4-(cyclobutylamino)-3-nitro-phenyl]-3-keto-propyl]-3-bromo-benzamide Formula: C20H21BrN4O4 MolecularWeight: 461.30914

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CC(C1)NC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H21BrN4O4/c21-14-4-1-3-13(9-14)20(27)24-17(11-19(22)26)12-7-8-16(18(10-12)25(28)29)23-15-5-2-6-15/h1,3-4,7-10,15,17,23H,2,5-6,11H2,(H2,22,26)(H,24,27)