4-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoyl]-7-nitro-6-phenylmethoxy-1,4-benzoxazin-3-one

Systemtic Name: 4-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoyl]-7-nitro-6-phenylmethoxy-1,4-benzoxazin-3-one Openeye Name: 6-benzyloxy-4-[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoyl]-7-nitro-1,4-benzoxazin-3-one CAS Name: 4-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-oxobutyl]-7-nitro-6-phenylmethoxy-1,4-benzoxazin-3-one IUPAC Name: 4-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoyl]-7-nitro-6-phenylmethoxy-1,4-benzoxazin-3-one Traditional Name: 6-benzoxy-4-[2-(2,4-ditert-amylphenoxy)butanoyl]-7-nitro-1,4-benzoxazin-3-one Formula: C35H42N2O7 MolecularWeight: 602.71718

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C(=O)COC2=CC(=C(C=C21)OCC3=CC=CC=C3)[N+](=O)[O-])OC4=C(C=C(C=C4)C(C)(C)CC)C(C)(C)CC

Isomeric SMILES

CCC(C(=O)N1C(=O)COC2=CC(=C(C=C21)OCC3=CC=CC=C3)[N+](=O)[O-])OC4=C(C=C(C=C4)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C35H42N2O7/c1-8-28(44-29-17-16-24(34(4,5)9-2)18-25(29)35(6,7)10-3)33(39)36-26-19-31(42-21-23-14-12-11-13-15-23)27(37(40)41)20-30(26)43-22-32(36)38/h11-20,28H,8-10,21-22H2,1-7H3