butyl 3-[2-methyl-7-[(4-nitrophenyl)diazenyl]-2,3-dihydroperimidin-1-yl]propanoate

Systemtic Name: butyl 3-[2-methyl-7-[(4-nitrophenyl)diazenyl]-2,3-dihydroperimidin-1-yl]propanoate Openeye Name: butyl 3-[2-methyl-7-(4-nitrophenyl)azo-2,3-dihydroperimidin-1-yl]propanoate CAS Name: 3-[2-methyl-7-(4-nitrophenyl)azo-2,3-dihydroperimidin-1-yl]propanoic acid butyl ester IUPAC Name: butyl 3-[2-methyl-7-[(4-nitrophenyl)diazenyl]-2,3-dihydroperimidin-1-yl]propanoate Traditional Name: 3-[2-methyl-7-(4-nitrophenyl)azo-2,3-dihydroperimidin-1-yl]propionic acid butyl ester Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCN1C(NC2=CC=CC3=C(C=CC1=C32)N=NC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CCCCOC(=O)CCN1C(NC2=CC=CC3=C(C=CC1=C32)N=NC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C25H27N5O4/c1-3-4-16-34-24(31)14-15-29-17(2)26-22-7-5-6-20-21(12-13-23(29)25(20)22)28-27-18-8-10-19(11-9-18)30(32)33/h5-13,17,26H,3-4,14-16H2,1-2H3