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

Systemtic Name: butyl 3-[2-methyl-7-[(2-nitroanthracen-1-yl)diazenyl]-2,3-dihydroperimidin-1-yl]propanoate Openeye Name: butyl 3-[2-methyl-7-[(2-nitro-1-anthryl)azo]-2,3-dihydroperimidin-1-yl]propanoate CAS Name: 3-[2-methyl-7-[(2-nitro-1-anthracenyl)azo]-2,3-dihydroperimidin-1-yl]propanoic acid butyl ester IUPAC Name: butyl 3-[2-methyl-7-[(2-nitroanthracen-1-yl)diazenyl]-2,3-dihydroperimidin-1-yl]propanoate Traditional Name: 3-[2-methyl-7-[(2-nitro-1-anthryl)azo]-2,3-dihydroperimidin-1-yl]propionic acid butyl ester Formula: C33H31N5O4 MolecularWeight: 561.63034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCN1C(NC2=CC=CC3=C(C=CC1=C32)N=NC4=C(C=CC5=CC6=CC=CC=C6C=C54)[N+](=O)[O-])C

Isomeric SMILES

CCCCOC(=O)CCN1C(NC2=CC=CC3=C(C=CC1=C32)N=NC4=C(C=CC5=CC6=CC=CC=C6C=C54)[N+](=O)[O-])C

InChI

InChI=1S/C33H31N5O4/c1-3-4-18-42-31(39)16-17-37-21(2)34-28-11-7-10-25-27(13-15-29(37)32(25)28)35-36-33-26-20-23-9-6-5-8-22(23)19-24(26)12-14-30(33)38(40)41/h5-15,19-21,34H,3-4,16-18H2,1-2H3