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

Systemtic Name: 6-nitro-3-[4-oxidanylidene-4-[4-(phenylmethyl)-1,4-diazepan-1-yl]butyl]-1,3-benzoxazol-2-one Openeye Name: 3-[4-(4-benzyl-1,4-diazepan-1-yl)-4-oxo-butyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 6-nitro-3-[4-oxo-4-[4-(phenylmethyl)-1,4-diazepan-1-yl]butyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[4-(4-benzyl-1,4-diazepan-1-yl)-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[4-(4-benzyl-1,4-diazepan-1-yl)-4-keto-butyl]-6-nitro-1,3-benzoxazol-2-one Formula: C23H26N4O5 MolecularWeight: 438.47634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O5/c28-22(25-12-5-11-24(14-15-25)17-18-6-2-1-3-7-18)8-4-13-26-20-10-9-19(27(30)31)16-21(20)32-23(26)29/h1-3,6-7,9-10,16H,4-5,8,11-15,17H2