3-nitro-N-(3-phenylmethoxypropyl)-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: 3-nitro-N-(3-phenylmethoxypropyl)-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-(3-benzyloxypropyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: 3-nitro-N-(3-phenylmethoxypropyl)-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: 3-nitro-N-(3-phenylmethoxypropyl)-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-(3-benzoxypropyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C19H19N5O4 MolecularWeight: 381.38526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COCCCNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O4/c25-19(21-9-4-10-28-12-15-5-2-1-3-6-15)16-7-8-17(18(11-16)24(26)27)23-14-20-13-22-23/h1-3,5-8,11,13-14H,4,9-10,12H2,(H,21,25)