4-(1-naphthalen-1-yl-1,2,3,4-tetrazol-5-yl)-N-(2-nitrophenyl)butanamide

Systemtic Name: 4-(1-naphthalen-1-yl-1,2,3,4-tetrazol-5-yl)-N-(2-nitrophenyl)butanamide Openeye Name: 4-[1-(1-naphthyl)tetrazol-5-yl]-N-(2-nitrophenyl)butanamide CAS Name: 4-[1-(1-naphthalenyl)-5-tetrazolyl]-N-(2-nitrophenyl)butanamide IUPAC Name: 4-(1-naphthalen-1-yltetrazol-5-yl)-N-(2-nitrophenyl)butanamide Traditional Name: 4-[1-(1-naphthyl)tetrazol-5-yl]-N-(2-nitrophenyl)butyramide Formula: C21H18N6O3 MolecularWeight: 402.40602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)CCCC(=O)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)CCCC(=O)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H18N6O3/c28-21(22-17-10-3-4-11-19(17)27(29)30)14-6-13-20-23-24-25-26(20)18-12-5-8-15-7-1-2-9-16(15)18/h1-5,7-12H,6,13-14H2,(H,22,28)