4-bromanyl-N-[4-(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)phenyl]-3-nitro-benzamide

Systemtic Name: 4-bromanyl-N-[4-(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)phenyl]-3-nitro-benzamide Openeye Name: 4-bromo-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-nitro-benzamide CAS Name: 4-bromo-N-[4-(1-cyclopropyl-5-tetrazolyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-bromo-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-nitrobenzamide Traditional Name: 4-bromo-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-nitro-benzamide Formula: C17H13BrN6O3 MolecularWeight: 429.22752

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1CC1N2C(=NN=N2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H13BrN6O3/c18-14-8-3-11(9-15(14)24(26)27)17(25)19-12-4-1-10(2-5-12)16-20-21-22-23(16)13-6-7-13/h1-5,8-9,13H,6-7H2,(H,19,25)