1-butyl-3-nitro-4-[3-(3-phenylmethoxypropoxy)phenyl]-1,8-naphthyridin-2-one

Systemtic Name: 1-butyl-3-nitro-4-[3-(3-phenylmethoxypropoxy)phenyl]-1,8-naphthyridin-2-one Openeye Name: 4-[3-(3-benzyloxypropoxy)phenyl]-1-butyl-3-nitro-1,8-naphthyridin-2-one CAS Name: 1-butyl-3-nitro-4-[3-(3-phenylmethoxypropoxy)phenyl]-1,8-naphthyridin-2-one IUPAC Name: 1-butyl-3-nitro-4-[3-(3-phenylmethoxypropoxy)phenyl]-1,8-naphthyridin-2-one Traditional Name: 4-[3-(3-benzoxypropoxy)phenyl]-1-butyl-3-nitro-1,8-naphthyridin-2-one Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC=N2)C(=C(C1=O)[N+](=O)[O-])C3=CC(=CC=C3)OCCCOCC4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=C(C=CC=N2)C(=C(C1=O)[N+](=O)[O-])C3=CC(=CC=C3)OCCCOCC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O5/c1-2-3-16-30-27-24(14-8-15-29-27)25(26(28(30)32)31(33)34)22-12-7-13-23(19-22)36-18-9-17-35-20-21-10-5-4-6-11-21/h4-8,10-15,19H,2-3,9,16-18,20H2,1H3