4-[3-nitro-4-(pyridin-2-ylmethyl)phenyl]butanamide

Systemtic Name: 4-[3-nitro-4-(pyridin-2-ylmethyl)phenyl]butanamide Openeye Name: 4-[3-nitro-4-(2-pyridylmethyl)phenyl]butanamide CAS Name: 4-[3-nitro-4-(2-pyridinylmethyl)phenyl]butanamide IUPAC Name: 4-[3-nitro-4-(pyridin-2-ylmethyl)phenyl]butanamide Traditional Name: 4-[3-nitro-4-(2-pyridylmethyl)phenyl]butyramide Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CC2=C(C=C(C=C2)CCCC(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)CC2=C(C=C(C=C2)CCCC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O3/c17-16(20)6-3-4-12-7-8-13(15(10-12)19(21)22)11-14-5-1-2-9-18-14/h1-2,5,7-10H,3-4,6,11H2,(H2,17,20)