3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-6-nitro-2H-1,3-benzoxazin-4-one

Systemtic Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-6-nitro-2H-1,3-benzoxazin-4-one Openeye Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-6-nitro-2H-1,3-benzoxazin-4-one CAS Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-6-nitro-2H-1,3-benzoxazin-4-one IUPAC Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-6-nitro-2H-1,3-benzoxazin-4-one Traditional Name: 3-[3-(homoveratrylamino)propyl]-6-nitro-2H-1,3-benzoxazin-4-one Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCCCN2COC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCCCN2COC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H25N3O6/c1-28-19-6-4-15(12-20(19)29-2)8-10-22-9-3-11-23-14-30-18-7-5-16(24(26)27)13-17(18)21(23)25/h4-7,12-13,22H,3,8-11,14H2,1-2H3