3-[4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one

Systemtic Name: 3-[4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-4-oxo-butyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[4-keto-4-(4-p-anisyl-1,4-diazepan-1-yl)butyl]-6-nitro-1,3-benzoxazol-2-one Formula: C24H28N4O6 MolecularWeight: 468.50232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C24H28N4O6/c1-33-20-8-5-18(6-9-20)17-25-11-3-12-26(15-14-25)23(29)4-2-13-27-21-10-7-19(28(31)32)16-22(21)34-24(27)30/h5-10,16H,2-4,11-15,17H2,1H3